diff --git a/.bumpversion.cfg b/.bumpversion.cfg
index bf44405..69d4f67 100644
--- a/.bumpversion.cfg
+++ b/.bumpversion.cfg
@@ -1,5 +1,5 @@
 [bumpversion]
-current_version = 0.0.18
+current_version = 0.1.1
 commit = True
 tag = False
 
diff --git a/MANIFEST.in b/MANIFEST.in
index fa8dea0..0574cc6 100644
--- a/MANIFEST.in
+++ b/MANIFEST.in
@@ -1 +1 @@
-include pyscal_rdf/data/*.owl
+include pyscal_rdf/data/*.??l
diff --git a/examples/01_getting_started.ipynb b/examples/01_getting_started.ipynb
index 52283a3..4fae09b 100644
--- a/examples/01_getting_started.ipynb
+++ b/examples/01_getting_started.ipynb
@@ -114,1049 +114,976 @@
        "<?xml version=\"1.0\" encoding=\"UTF-8\" standalone=\"no\"?>\n",
        "<!DOCTYPE svg PUBLIC \"-//W3C//DTD SVG 1.1//EN\"\n",
        " \"http://www.w3.org/Graphics/SVG/1.1/DTD/svg11.dtd\">\n",
-       "<!-- Generated by graphviz version 8.1.0 (20230707.2238)\n",
+       "<!-- Generated by graphviz version 9.0.0 (20231125.0833)\n",
        " -->\n",
        "<!-- Pages: 1 -->\n",
-       "<svg width=\"2659pt\" height=\"616pt\"\n",
-       " viewBox=\"0.00 0.00 2658.90 616.25\" xmlns=\"http://www.w3.org/2000/svg\" xmlns:xlink=\"http://www.w3.org/1999/xlink\">\n",
+       "<svg width=\"4112pt\" height=\"616pt\"\n",
+       " viewBox=\"0.00 0.00 4111.90 616.25\" xmlns=\"http://www.w3.org/2000/svg\" xmlns:xlink=\"http://www.w3.org/1999/xlink\">\n",
        "<g id=\"graph0\" class=\"graph\" transform=\"scale(1 1) rotate(0) translate(4 612.25)\">\n",
-       "<polygon fill=\"white\" stroke=\"none\" points=\"-4,4 -4,-612.25 2654.9,-612.25 2654.9,4 -4,4\"/>\n",
-       "<!-- SimulationCell_1Length -->\n",
+       "<polygon fill=\"white\" stroke=\"none\" points=\"-4,4 -4,-612.25 4107.9,-612.25 4107.9,4 -4,4\"/>\n",
+       "<!-- sample_1_SimulationCell -->\n",
        "<g id=\"node1\" class=\"node\">\n",
-       "<title>SimulationCell_1Length</title>\n",
-       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"1432.9,-363 1322.4,-363 1322.4,-327 1432.9,-327 1432.9,-363\"/>\n",
-       "<text text-anchor=\"middle\" x=\"1377.65\" y=\"-342.27\" font-family=\"Times,serif\" font-size=\"8.00\">SimulationCell_1Length</text>\n",
+       "<title>sample_1_SimulationCell</title>\n",
+       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"1657.4,-281.25 1543.9,-281.25 1543.9,-245.25 1657.4,-245.25 1657.4,-281.25\"/>\n",
+       "<text text-anchor=\"middle\" x=\"1600.65\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">sample_1_SimulationCell</text>\n",
        "</g>\n",
-       "<!-- 48d2c363&#45;3ee1&#45;4f79&#45;953f&#45;71d4b7d38c77 -->\n",
+       "<!-- sample_1_SimulationCellVector_1 -->\n",
        "<g id=\"node2\" class=\"node\">\n",
-       "<title>48d2c363&#45;3ee1&#45;4f79&#45;953f&#45;71d4b7d38c77</title>\n",
-       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"1208.3,-444.75 1162.72,-444.75 1151,-408.75 1196.58,-408.75 1208.3,-444.75\"/>\n",
-       "<text text-anchor=\"middle\" x=\"1179.65\" y=\"-424.02\" font-family=\"Times,serif\" font-size=\"8.00\">2.87</text>\n",
+       "<title>sample_1_SimulationCellVector_1</title>\n",
+       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"1550.65,-363 1402.65,-363 1402.65,-327 1550.65,-327 1550.65,-363\"/>\n",
+       "<text text-anchor=\"middle\" x=\"1476.65\" y=\"-342.27\" font-family=\"Times,serif\" font-size=\"8.00\">sample_1_SimulationCellVector_1</text>\n",
        "</g>\n",
-       "<!-- SimulationCell_1Length&#45;&gt;48d2c363&#45;3ee1&#45;4f79&#45;953f&#45;71d4b7d38c77 -->\n",
+       "<!-- sample_1_SimulationCell&#45;&gt;sample_1_SimulationCellVector_1 -->\n",
        "<g id=\"edge1\" class=\"edge\">\n",
-       "<title>SimulationCell_1Length&#45;&gt;48d2c363&#45;3ee1&#45;4f79&#45;953f&#45;71d4b7d38c77</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M1322.23,-361.07C1319.33,-361.75 1316.46,-362.4 1313.65,-363 1265.32,-373.36 1244.18,-352.35 1203.9,-381 1197.71,-385.41 1192.94,-391.9 1189.34,-398.59\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"1185.87,-396.75 1184.86,-407.29 1192.23,-399.68 1185.87,-396.75\"/>\n",
-       "<text text-anchor=\"middle\" x=\"1241.02\" y=\"-383.15\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasLength_x</text>\n",
+       "<title>sample_1_SimulationCell&#45;&gt;sample_1_SimulationCellVector_1</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M1573.74,-281.55C1555.95,-293 1532.41,-308.14 1512.96,-320.65\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"1511.29,-317.56 1504.78,-325.91 1515.08,-323.44 1511.29,-317.56\"/>\n",
+       "<text text-anchor=\"middle\" x=\"1577.4\" y=\"-301.4\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasVector</text>\n",
        "</g>\n",
-       "<!-- 453b511f&#45;5077&#45;4950&#45;9fd2&#45;c053ff17f3aa -->\n",
-       "<g id=\"node49\" class=\"node\">\n",
-       "<title>453b511f&#45;5077&#45;4950&#45;9fd2&#45;c053ff17f3aa</title>\n",
-       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"1303.3,-444.75 1257.72,-444.75 1246,-408.75 1291.58,-408.75 1303.3,-444.75\"/>\n",
-       "<text text-anchor=\"middle\" x=\"1274.65\" y=\"-424.02\" font-family=\"Times,serif\" font-size=\"8.00\">2.87</text>\n",
-       "</g>\n",
-       "<!-- SimulationCell_1Length&#45;&gt;453b511f&#45;5077&#45;4950&#45;9fd2&#45;c053ff17f3aa -->\n",
-       "<g id=\"edge40\" class=\"edge\">\n",
-       "<title>SimulationCell_1Length&#45;&gt;453b511f&#45;5077&#45;4950&#45;9fd2&#45;c053ff17f3aa</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M1322.28,-362.4C1306.19,-368.16 1291.45,-374.75 1285.9,-381 1281.61,-385.83 1278.9,-392.07 1277.21,-398.34\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"1273.67,-397.21 1275.22,-407.69 1280.55,-398.53 1273.67,-397.21\"/>\n",
-       "<text text-anchor=\"middle\" x=\"1323.02\" y=\"-383.15\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasLength_y</text>\n",
+       "<!-- sample_1_SimulationCellAngle -->\n",
+       "<g id=\"node14\" class=\"node\">\n",
+       "<title>sample_1_SimulationCellAngle</title>\n",
+       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"1181.02,-363 1044.27,-363 1044.27,-327 1181.02,-327 1181.02,-363\"/>\n",
+       "<text text-anchor=\"middle\" x=\"1112.65\" y=\"-342.27\" font-family=\"Times,serif\" font-size=\"8.00\">sample_1_SimulationCellAngle</text>\n",
        "</g>\n",
-       "<!-- cmso.SimulationCellLength -->\n",
-       "<g id=\"node50\" class=\"node\">\n",
-       "<title>cmso.SimulationCellLength</title>\n",
-       "<polygon fill=\"#ffffcc\" stroke=\"#ffffcc\" points=\"1520.65,-444.75 1396.65,-444.75 1396.65,-408.75 1520.65,-408.75 1520.65,-444.75\"/>\n",
-       "<text text-anchor=\"middle\" x=\"1458.65\" y=\"-424.02\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.SimulationCellLength</text>\n",
+       "<!-- sample_1_SimulationCell&#45;&gt;sample_1_SimulationCellAngle -->\n",
+       "<g id=\"edge48\" class=\"edge\">\n",
+       "<title>sample_1_SimulationCell&#45;&gt;sample_1_SimulationCellAngle</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M1543.71,-273.55C1456.92,-287.74 1291.22,-314.82 1192.46,-330.96\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"1192.15,-327.46 1182.84,-332.53 1193.28,-334.37 1192.15,-327.46\"/>\n",
+       "<text text-anchor=\"middle\" x=\"1416.27\" y=\"-301.4\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasAngle</text>\n",
        "</g>\n",
-       "<!-- SimulationCell_1Length&#45;&gt;cmso.SimulationCellLength -->\n",
-       "<g id=\"edge42\" class=\"edge\">\n",
-       "<title>SimulationCell_1Length&#45;&gt;cmso.SimulationCellLength</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M1420.79,-363.41C1428.86,-368.17 1436.63,-374 1442.65,-381 1446.92,-385.97 1450.08,-392.16 1452.41,-398.34\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"1449.27,-399.02 1455.59,-407.51 1455.95,-396.93 1449.27,-399.02\"/>\n",
-       "<text text-anchor=\"middle\" x=\"1458.27\" y=\"-383.15\" font-family=\"Times,serif\" font-size=\"8.00\">type</text>\n",
+       "<!-- sample_1_SimulationCellVector_2 -->\n",
+       "<g id=\"node16\" class=\"node\">\n",
+       "<title>sample_1_SimulationCellVector_2</title>\n",
+       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"1776.65,-363 1628.65,-363 1628.65,-327 1776.65,-327 1776.65,-363\"/>\n",
+       "<text text-anchor=\"middle\" x=\"1702.65\" y=\"-342.27\" font-family=\"Times,serif\" font-size=\"8.00\">sample_1_SimulationCellVector_2</text>\n",
        "</g>\n",
-       "<!-- a0f55cb6&#45;28e5&#45;49e6&#45;a533&#45;e2cf279d7646 -->\n",
-       "<g id=\"node71\" class=\"node\">\n",
-       "<title>a0f55cb6&#45;28e5&#45;49e6&#45;a533&#45;e2cf279d7646</title>\n",
-       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"1378.3,-444.75 1332.72,-444.75 1321,-408.75 1366.58,-408.75 1378.3,-444.75\"/>\n",
-       "<text text-anchor=\"middle\" x=\"1349.65\" y=\"-424.02\" font-family=\"Times,serif\" font-size=\"8.00\">2.87</text>\n",
+       "<!-- sample_1_SimulationCell&#45;&gt;sample_1_SimulationCellVector_2 -->\n",
+       "<g id=\"edge23\" class=\"edge\">\n",
+       "<title>sample_1_SimulationCell&#45;&gt;sample_1_SimulationCellVector_2</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M1622.78,-281.55C1637.08,-292.74 1655.9,-307.45 1671.68,-319.79\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"1669.33,-322.39 1679.37,-325.8 1673.65,-316.88 1669.33,-322.39\"/>\n",
+       "<text text-anchor=\"middle\" x=\"1689.4\" y=\"-301.4\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasVector</text>\n",
        "</g>\n",
-       "<!-- SimulationCell_1Length&#45;&gt;a0f55cb6&#45;28e5&#45;49e6&#45;a533&#45;e2cf279d7646 -->\n",
-       "<g id=\"edge75\" class=\"edge\">\n",
-       "<title>SimulationCell_1Length&#45;&gt;a0f55cb6&#45;28e5&#45;49e6&#45;a533&#45;e2cf279d7646</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M1371.57,-363.3C1367.98,-373.55 1363.34,-386.75 1359.26,-398.38\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"1355.72,-396.88 1355.71,-407.48 1362.33,-399.2 1355.72,-396.88\"/>\n",
-       "<text text-anchor=\"middle\" x=\"1402.02\" y=\"-383.15\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasLength_z</text>\n",
+       "<!-- sample_1_SimulationCellVector_3 -->\n",
+       "<g id=\"node19\" class=\"node\">\n",
+       "<title>sample_1_SimulationCellVector_3</title>\n",
+       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"878.65,-363 730.65,-363 730.65,-327 878.65,-327 878.65,-363\"/>\n",
+       "<text text-anchor=\"middle\" x=\"804.65\" y=\"-342.27\" font-family=\"Times,serif\" font-size=\"8.00\">sample_1_SimulationCellVector_3</text>\n",
        "</g>\n",
-       "<!-- cmso.SimulationCellAngle -->\n",
-       "<g id=\"node3\" class=\"node\">\n",
-       "<title>cmso.SimulationCellAngle</title>\n",
-       "<polygon fill=\"#ffffcc\" stroke=\"#ffffcc\" points=\"835.02,-444.75 716.27,-444.75 716.27,-408.75 835.02,-408.75 835.02,-444.75\"/>\n",
-       "<text text-anchor=\"middle\" x=\"775.65\" y=\"-424.02\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.SimulationCellAngle</text>\n",
+       "<!-- sample_1_SimulationCell&#45;&gt;sample_1_SimulationCellVector_3 -->\n",
+       "<g id=\"edge19\" class=\"edge\">\n",
+       "<title>sample_1_SimulationCell&#45;&gt;sample_1_SimulationCellVector_3</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M1543.4,-269.99C1405.37,-283.81 1053.6,-319.06 890.32,-335.42\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"890,-331.93 880.4,-336.41 890.7,-338.9 890,-331.93\"/>\n",
+       "<text text-anchor=\"middle\" x=\"1281.4\" y=\"-301.4\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasVector</text>\n",
        "</g>\n",
-       "<!-- cmso.Angle -->\n",
-       "<g id=\"node4\" class=\"node\">\n",
-       "<title>cmso.Angle</title>\n",
-       "<polygon fill=\"#ffffcc\" stroke=\"#ffffcc\" points=\"596.52,-526.5 534.77,-526.5 534.77,-490.5 596.52,-490.5 596.52,-526.5\"/>\n",
-       "<text text-anchor=\"middle\" x=\"565.65\" y=\"-505.77\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.Angle</text>\n",
+       "<!-- sample_1_SimulationCellLength -->\n",
+       "<g id=\"node38\" class=\"node\">\n",
+       "<title>sample_1_SimulationCellLength</title>\n",
+       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"484.65,-363 342.65,-363 342.65,-327 484.65,-327 484.65,-363\"/>\n",
+       "<text text-anchor=\"middle\" x=\"413.65\" y=\"-342.27\" font-family=\"Times,serif\" font-size=\"8.00\">sample_1_SimulationCellLength</text>\n",
        "</g>\n",
-       "<!-- cmso.SimulationCellAngle&#45;&gt;cmso.Angle -->\n",
-       "<g id=\"edge2\" class=\"edge\">\n",
-       "<title>cmso.SimulationCellAngle&#45;&gt;cmso.Angle</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M729.82,-445.15C693.14,-459.09 642.14,-478.45 606.76,-491.89\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"605.87,-488.86 597.77,-495.68 608.36,-495.41 605.87,-488.86\"/>\n",
-       "<text text-anchor=\"middle\" x=\"705.77\" y=\"-464.9\" font-family=\"Times,serif\" font-size=\"8.00\">subClassOf</text>\n",
+       "<!-- sample_1_SimulationCell&#45;&gt;sample_1_SimulationCellLength -->\n",
+       "<g id=\"edge61\" class=\"edge\">\n",
+       "<title>sample_1_SimulationCell&#45;&gt;sample_1_SimulationCellLength</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M1543.8,-268.07C1351.29,-281 723.39,-323.19 496.44,-338.44\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"496.23,-334.94 486.48,-339.11 496.7,-341.93 496.23,-334.94\"/>\n",
+       "<text text-anchor=\"middle\" x=\"1110.9\" y=\"-301.4\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasLength</text>\n",
        "</g>\n",
-       "<!-- DEG -->\n",
+       "<!-- cmso.SimulationCell -->\n",
        "<g id=\"node55\" class=\"node\">\n",
-       "<title>DEG</title>\n",
-       "<polygon fill=\"#ffffcc\" stroke=\"#ffffcc\" points=\"592.65,-608.25 538.65,-608.25 538.65,-572.25 592.65,-572.25 592.65,-608.25\"/>\n",
-       "<text text-anchor=\"middle\" x=\"565.65\" y=\"-587.52\" font-family=\"Times,serif\" font-size=\"8.00\">DEG</text>\n",
+       "<title>cmso.SimulationCell</title>\n",
+       "<polygon fill=\"#ffffcc\" stroke=\"#ffffcc\" points=\"1890.4,-363 1794.9,-363 1794.9,-327 1890.4,-327 1890.4,-363\"/>\n",
+       "<text text-anchor=\"middle\" x=\"1842.65\" y=\"-342.27\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.SimulationCell</text>\n",
        "</g>\n",
-       "<!-- cmso.Angle&#45;&gt;DEG -->\n",
-       "<g id=\"edge46\" class=\"edge\">\n",
-       "<title>cmso.Angle&#45;&gt;DEG</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M565.65,-526.8C565.65,-536.84 565.65,-549.71 565.65,-561.16\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"562.15,-560.98 565.65,-570.98 569.15,-560.98 562.15,-560.98\"/>\n",
-       "<text text-anchor=\"middle\" x=\"592.27\" y=\"-546.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasUnit</text>\n",
+       "<!-- sample_1_SimulationCell&#45;&gt;cmso.SimulationCell -->\n",
+       "<g id=\"edge49\" class=\"edge\">\n",
+       "<title>sample_1_SimulationCell&#45;&gt;cmso.SimulationCell</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M1657.9,-279.48C1678.72,-285.3 1702.35,-292.23 1723.65,-299.25 1744.97,-306.28 1768.14,-314.79 1788.32,-322.49\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"1786.87,-325.69 1797.46,-326.01 1789.39,-319.15 1786.87,-325.69\"/>\n",
+       "<text text-anchor=\"middle\" x=\"1759.27\" y=\"-301.4\" font-family=\"Times,serif\" font-size=\"8.00\">type</text>\n",
        "</g>\n",
-       "<!-- Atom_1_1_Position -->\n",
-       "<g id=\"node5\" class=\"node\">\n",
-       "<title>Atom_1_1_Position</title>\n",
-       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"1758.4,-199.5 1668.9,-199.5 1668.9,-163.5 1758.4,-163.5 1758.4,-199.5\"/>\n",
-       "<text text-anchor=\"middle\" x=\"1713.65\" y=\"-178.78\" font-family=\"Times,serif\" font-size=\"8.00\">Atom_1_1_Position</text>\n",
+       "<!-- c98da728&#45;93a4&#45;437d&#45;bf72&#45;41c9348e491b -->\n",
+       "<g id=\"node70\" class=\"node\">\n",
+       "<title>c98da728&#45;93a4&#45;437d&#45;bf72&#45;41c9348e491b</title>\n",
+       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"1992.57,-363 1925.88,-363 1908.73,-327 1975.42,-327 1992.57,-363\"/>\n",
+       "<text text-anchor=\"middle\" x=\"1950.65\" y=\"-342.27\" font-family=\"Times,serif\" font-size=\"8.00\">1512.95</text>\n",
        "</g>\n",
-       "<!-- 435038de&#45;d92c&#45;4948&#45;89fd&#45;5b8b13377dc3 -->\n",
-       "<g id=\"node6\" class=\"node\">\n",
-       "<title>435038de&#45;d92c&#45;4948&#45;89fd&#45;5b8b13377dc3</title>\n",
-       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"1624.72,-281.25 1572.11,-281.25 1558.58,-245.25 1611.19,-245.25 1624.72,-281.25\"/>\n",
-       "<text text-anchor=\"middle\" x=\"1591.65\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">1.435</text>\n",
+       "<!-- sample_1_SimulationCell&#45;&gt;c98da728&#45;93a4&#45;437d&#45;bf72&#45;41c9348e491b -->\n",
+       "<g id=\"edge72\" class=\"edge\">\n",
+       "<title>sample_1_SimulationCell&#45;&gt;c98da728&#45;93a4&#45;437d&#45;bf72&#45;41c9348e491b</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M1657.63,-274.08C1715.79,-284.58 1808.78,-302.69 1898.63,-326.9\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"1897.54,-330.23 1908.11,-329.48 1899.38,-323.48 1897.54,-330.23\"/>\n",
+       "<text text-anchor=\"middle\" x=\"1859.27\" y=\"-301.4\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasVolume</text>\n",
        "</g>\n",
-       "<!-- Atom_1_1_Position&#45;&gt;435038de&#45;d92c&#45;4948&#45;89fd&#45;5b8b13377dc3 -->\n",
-       "<g id=\"edge3\" class=\"edge\">\n",
-       "<title>Atom_1_1_Position&#45;&gt;435038de&#45;d92c&#45;4948&#45;89fd&#45;5b8b13377dc3</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M1668.6,-189.63C1649.16,-194.66 1627.33,-203.16 1611.65,-217.5 1606.46,-222.25 1602.53,-228.6 1599.6,-235.02\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"1596.1,-233.36 1595.76,-243.95 1602.63,-235.88 1596.1,-233.36\"/>\n",
-       "<text text-anchor=\"middle\" x=\"1656.65\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasComponent_x</text>\n",
+       "<!-- cmso.SimulationCellVector -->\n",
+       "<g id=\"node24\" class=\"node\">\n",
+       "<title>cmso.SimulationCellVector</title>\n",
+       "<polygon fill=\"#ffffcc\" stroke=\"#ffffcc\" points=\"1370.15,-444.75 1249.15,-444.75 1249.15,-408.75 1370.15,-408.75 1370.15,-444.75\"/>\n",
+       "<text text-anchor=\"middle\" x=\"1309.65\" y=\"-424.02\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.SimulationCellVector</text>\n",
        "</g>\n",
-       "<!-- ad7cb0c5&#45;3cc3&#45;40d7&#45;871f&#45;a4752b6fa6b4 -->\n",
-       "<g id=\"node41\" class=\"node\">\n",
-       "<title>ad7cb0c5&#45;3cc3&#45;40d7&#45;871f&#45;a4752b6fa6b4</title>\n",
-       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"1737.72,-281.25 1685.11,-281.25 1671.58,-245.25 1724.19,-245.25 1737.72,-281.25\"/>\n",
-       "<text text-anchor=\"middle\" x=\"1704.65\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">1.435</text>\n",
+       "<!-- sample_1_SimulationCellVector_1&#45;&gt;cmso.SimulationCellVector -->\n",
+       "<g id=\"edge76\" class=\"edge\">\n",
+       "<title>sample_1_SimulationCellVector_1&#45;&gt;cmso.SimulationCellVector</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M1402.37,-362.75C1387.64,-367.56 1372.65,-373.57 1359.4,-381 1350.03,-386.26 1340.93,-393.56 1333.13,-400.75\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"1331.07,-397.87 1326.32,-407.34 1335.94,-402.9 1331.07,-397.87\"/>\n",
+       "<text text-anchor=\"middle\" x=\"1368.27\" y=\"-383.15\" font-family=\"Times,serif\" font-size=\"8.00\">type</text>\n",
        "</g>\n",
-       "<!-- Atom_1_1_Position&#45;&gt;ad7cb0c5&#45;3cc3&#45;40d7&#45;871f&#45;a4752b6fa6b4 -->\n",
-       "<g id=\"edge30\" class=\"edge\">\n",
-       "<title>Atom_1_1_Position&#45;&gt;ad7cb0c5&#45;3cc3&#45;40d7&#45;871f&#45;a4752b6fa6b4</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M1708.96,-199.82C1707.64,-205.42 1706.37,-211.69 1705.65,-217.5 1704.99,-222.81 1704.61,-228.5 1704.41,-233.99\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"1700.9,-233.7 1704.22,-243.76 1707.9,-233.83 1700.9,-233.7\"/>\n",
-       "<text text-anchor=\"middle\" x=\"1750.65\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasComponent_z</text>\n",
+       "<!-- 865995bd&#45;6362&#45;4a48&#45;97d0&#45;4072beac9757 -->\n",
+       "<g id=\"node47\" class=\"node\">\n",
+       "<title>865995bd&#45;6362&#45;4a48&#45;97d0&#45;4072beac9757</title>\n",
+       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"1443.64,-444.75 1399.11,-444.75 1387.66,-408.75 1432.19,-408.75 1443.64,-444.75\"/>\n",
+       "<text text-anchor=\"middle\" x=\"1415.65\" y=\"-424.02\" font-family=\"Times,serif\" font-size=\"8.00\">0.0</text>\n",
        "</g>\n",
-       "<!-- cmso.PositionVector -->\n",
-       "<g id=\"node54\" class=\"node\">\n",
-       "<title>cmso.PositionVector</title>\n",
-       "<polygon fill=\"#ffffcc\" stroke=\"#ffffcc\" points=\"2097.02,-281.25 2002.27,-281.25 2002.27,-245.25 2097.02,-245.25 2097.02,-281.25\"/>\n",
-       "<text text-anchor=\"middle\" x=\"2049.65\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.PositionVector</text>\n",
+       "<!-- sample_1_SimulationCellVector_1&#45;&gt;865995bd&#45;6362&#45;4a48&#45;97d0&#45;4072beac9757 -->\n",
+       "<g id=\"edge41\" class=\"edge\">\n",
+       "<title>sample_1_SimulationCellVector_1&#45;&gt;865995bd&#45;6362&#45;4a48&#45;97d0&#45;4072beac9757</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M1402.55,-363.09C1394.76,-367.7 1387.82,-373.56 1382.65,-381 1378.36,-387.18 1379.74,-393.74 1383.73,-399.89\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"1380.96,-402.02 1390.12,-407.34 1386.27,-397.47 1380.96,-402.02\"/>\n",
+       "<text text-anchor=\"middle\" x=\"1427.65\" y=\"-383.15\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasComponent_y</text>\n",
        "</g>\n",
-       "<!-- Atom_1_1_Position&#45;&gt;cmso.PositionVector -->\n",
-       "<g id=\"edge81\" class=\"edge\">\n",
-       "<title>Atom_1_1_Position&#45;&gt;cmso.PositionVector</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M1758.53,-192.66C1769.36,-195 1780.9,-197.42 1791.65,-199.5 1838.56,-208.59 1851.07,-206.85 1897.65,-217.5 1937.82,-226.68 1949.43,-231.85 1991.57,-244.61\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"1990.42,-248.22 2001,-247.74 1992.43,-241.52 1990.42,-248.22\"/>\n",
-       "<text text-anchor=\"middle\" x=\"1942.27\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">type</text>\n",
+       "<!-- ebce2d62&#45;9366&#45;4922&#45;bb67&#45;f9de019d582f -->\n",
+       "<g id=\"node59\" class=\"node\">\n",
+       "<title>ebce2d62&#45;9366&#45;4922&#45;bb67&#45;f9de019d582f</title>\n",
+       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"1517.64,-444.75 1473.11,-444.75 1461.66,-408.75 1506.19,-408.75 1517.64,-444.75\"/>\n",
+       "<text text-anchor=\"middle\" x=\"1489.65\" y=\"-424.02\" font-family=\"Times,serif\" font-size=\"8.00\">0.0</text>\n",
        "</g>\n",
-       "<!-- b24578c5&#45;ceae&#45;480d&#45;804c&#45;f2bd485bd6b8 -->\n",
-       "<g id=\"node72\" class=\"node\">\n",
-       "<title>b24578c5&#45;ceae&#45;480d&#45;804c&#45;f2bd485bd6b8</title>\n",
-       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"1850.72,-281.25 1798.11,-281.25 1784.58,-245.25 1837.19,-245.25 1850.72,-281.25\"/>\n",
-       "<text text-anchor=\"middle\" x=\"1817.65\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">1.435</text>\n",
+       "<!-- sample_1_SimulationCellVector_1&#45;&gt;ebce2d62&#45;9366&#45;4922&#45;bb67&#45;f9de019d582f -->\n",
+       "<g id=\"edge54\" class=\"edge\">\n",
+       "<title>sample_1_SimulationCellVector_1&#45;&gt;ebce2d62&#45;9366&#45;4922&#45;bb67&#45;f9de019d582f</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M1475.81,-363.12C1475.7,-371.51 1476.04,-381.72 1477.65,-390.75 1478.06,-393.07 1478.61,-395.45 1479.23,-397.81\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"1475.82,-398.63 1482.14,-407.14 1482.5,-396.55 1475.82,-398.63\"/>\n",
+       "<text text-anchor=\"middle\" x=\"1522.65\" y=\"-383.15\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasComponent_z</text>\n",
        "</g>\n",
-       "<!-- Atom_1_1_Position&#45;&gt;b24578c5&#45;ceae&#45;480d&#45;804c&#45;f2bd485bd6b8 -->\n",
-       "<g id=\"edge77\" class=\"edge\">\n",
-       "<title>Atom_1_1_Position&#45;&gt;b24578c5&#45;ceae&#45;480d&#45;804c&#45;f2bd485bd6b8</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M1758.77,-195.13C1771.82,-200.43 1785.31,-207.7 1795.65,-217.5 1800.85,-222.42 1804.98,-228.84 1808.2,-235.26\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"1805.31,-236.39 1812.52,-244.16 1811.72,-233.59 1805.31,-236.39\"/>\n",
-       "<text text-anchor=\"middle\" x=\"1848.65\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasComponent_y</text>\n",
+       "<!-- 5a0d153b&#45;23a5&#45;4495&#45;a772&#45;b14152860bfe -->\n",
+       "<g id=\"node68\" class=\"node\">\n",
+       "<title>5a0d153b&#45;23a5&#45;4495&#45;a772&#45;b14152860bfe</title>\n",
+       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"1618.3,-444.75 1572.72,-444.75 1561,-408.75 1606.58,-408.75 1618.3,-444.75\"/>\n",
+       "<text text-anchor=\"middle\" x=\"1589.65\" y=\"-424.02\" font-family=\"Times,serif\" font-size=\"8.00\">2.87</text>\n",
        "</g>\n",
-       "<!-- UnitCell_1LatticeAngle -->\n",
-       "<g id=\"node7\" class=\"node\">\n",
-       "<title>UnitCell_1LatticeAngle</title>\n",
-       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"535.4,-363 427.9,-363 427.9,-327 535.4,-327 535.4,-363\"/>\n",
-       "<text text-anchor=\"middle\" x=\"481.65\" y=\"-342.27\" font-family=\"Times,serif\" font-size=\"8.00\">UnitCell_1LatticeAngle</text>\n",
+       "<!-- sample_1_SimulationCellVector_1&#45;&gt;5a0d153b&#45;23a5&#45;4495&#45;a772&#45;b14152860bfe -->\n",
+       "<g id=\"edge66\" class=\"edge\">\n",
+       "<title>sample_1_SimulationCellVector_1&#45;&gt;5a0d153b&#45;23a5&#45;4495&#45;a772&#45;b14152860bfe</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M1540.41,-363.42C1550.27,-368.03 1559.78,-373.81 1567.65,-381 1572.81,-385.71 1576.9,-391.91 1580.09,-398.17\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"1576.8,-399.4 1584.01,-407.16 1583.22,-396.59 1576.8,-399.4\"/>\n",
+       "<text text-anchor=\"middle\" x=\"1620.65\" y=\"-383.15\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasComponent_x</text>\n",
        "</g>\n",
-       "<!-- 0967e175&#45;9673&#45;4868&#45;8fc0&#45;84034983f39f -->\n",
-       "<g id=\"node8\" class=\"node\">\n",
-       "<title>0967e175&#45;9673&#45;4868&#45;8fc0&#45;84034983f39f</title>\n",
-       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"550.64,-444.75 506.11,-444.75 494.66,-408.75 539.19,-408.75 550.64,-444.75\"/>\n",
-       "<text text-anchor=\"middle\" x=\"522.65\" y=\"-424.02\" font-family=\"Times,serif\" font-size=\"8.00\">90</text>\n",
+       "<!-- sample_1_CrystalStructure -->\n",
+       "<g id=\"node3\" class=\"node\">\n",
+       "<title>sample_1_CrystalStructure</title>\n",
+       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"2324.9,-199.5 2202.4,-199.5 2202.4,-163.5 2324.9,-163.5 2324.9,-199.5\"/>\n",
+       "<text text-anchor=\"middle\" x=\"2263.65\" y=\"-178.78\" font-family=\"Times,serif\" font-size=\"8.00\">sample_1_CrystalStructure</text>\n",
        "</g>\n",
-       "<!-- UnitCell_1LatticeAngle&#45;&gt;0967e175&#45;9673&#45;4868&#45;8fc0&#45;84034983f39f -->\n",
-       "<g id=\"edge4\" class=\"edge\">\n",
-       "<title>UnitCell_1LatticeAngle&#45;&gt;0967e175&#45;9673&#45;4868&#45;8fc0&#45;84034983f39f</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M478.98,-363.32C478.42,-371.94 478.94,-382.31 482.9,-390.75 484.51,-394.18 486.63,-397.42 489.06,-400.43\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"486.12,-402.47 495.55,-407.31 491.2,-397.65 486.12,-402.47\"/>\n",
-       "<text text-anchor=\"middle\" x=\"526.02\" y=\"-383.15\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasAngle_alpha</text>\n",
+       "<!-- d5f68373&#45;47d6&#45;441e&#45;85e7&#45;6dd4c0479d6b -->\n",
+       "<g id=\"node4\" class=\"node\">\n",
+       "<title>d5f68373&#45;47d6&#45;441e&#45;85e7&#45;6dd4c0479d6b</title>\n",
+       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"2352.88,-281.25 2295.24,-281.25 2280.42,-245.25 2338.06,-245.25 2352.88,-281.25\"/>\n",
+       "<text text-anchor=\"middle\" x=\"2316.65\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">Im&#45;3M</text>\n",
        "</g>\n",
-       "<!-- cmso.LatticeAngle -->\n",
+       "<!-- sample_1_CrystalStructure&#45;&gt;d5f68373&#45;47d6&#45;441e&#45;85e7&#45;6dd4c0479d6b -->\n",
+       "<g id=\"edge2\" class=\"edge\">\n",
+       "<title>sample_1_CrystalStructure&#45;&gt;d5f68373&#45;47d6&#45;441e&#45;85e7&#45;6dd4c0479d6b</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M2277.85,-199.97C2282.12,-205.47 2286.71,-211.64 2290.65,-217.5 2294.44,-223.14 2298.26,-229.35 2301.76,-235.3\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"2298.52,-236.69 2306.53,-243.62 2304.59,-233.2 2298.52,-236.69\"/>\n",
+       "<text text-anchor=\"middle\" x=\"2354.02\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasSpaceGroupSymbol</text>\n",
+       "</g>\n",
+       "<!-- cmso.CrystalStructure -->\n",
        "<g id=\"node9\" class=\"node\">\n",
-       "<title>cmso.LatticeAngle</title>\n",
-       "<polygon fill=\"#ffffcc\" stroke=\"#ffffcc\" points=\"477.02,-444.75 388.27,-444.75 388.27,-408.75 477.02,-408.75 477.02,-444.75\"/>\n",
-       "<text text-anchor=\"middle\" x=\"432.65\" y=\"-424.02\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.LatticeAngle</text>\n",
+       "<title>cmso.CrystalStructure</title>\n",
+       "<polygon fill=\"#ffffcc\" stroke=\"#ffffcc\" points=\"2502.9,-281.25 2398.4,-281.25 2398.4,-245.25 2502.9,-245.25 2502.9,-281.25\"/>\n",
+       "<text text-anchor=\"middle\" x=\"2450.65\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.CrystalStructure</text>\n",
        "</g>\n",
-       "<!-- UnitCell_1LatticeAngle&#45;&gt;cmso.LatticeAngle -->\n",
+       "<!-- sample_1_CrystalStructure&#45;&gt;cmso.CrystalStructure -->\n",
        "<g id=\"edge5\" class=\"edge\">\n",
-       "<title>UnitCell_1LatticeAngle&#45;&gt;cmso.LatticeAngle</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M470.46,-363.39C466.9,-368.99 462.95,-375.24 459.4,-381 455.78,-386.87 451.95,-393.2 448.35,-399.2\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"445.07,-396.88 442.96,-407.26 451.08,-400.46 445.07,-396.88\"/>\n",
-       "<text text-anchor=\"middle\" x=\"468.27\" y=\"-383.15\" font-family=\"Times,serif\" font-size=\"8.00\">type</text>\n",
+       "<title>sample_1_CrystalStructure&#45;&gt;cmso.CrystalStructure</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M2325.09,-197.5C2327.98,-198.18 2330.85,-198.85 2333.65,-199.5 2370,-207.9 2384.07,-197.63 2415.65,-217.5 2423,-222.12 2429.43,-228.85 2434.71,-235.7\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"2431.69,-237.5 2440.3,-243.68 2437.42,-233.48 2431.69,-237.5\"/>\n",
+       "<text text-anchor=\"middle\" x=\"2434.27\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">type</text>\n",
        "</g>\n",
-       "<!-- 587320d9&#45;3ed4&#45;4efc&#45;b172&#45;92755b614a2d -->\n",
-       "<g id=\"node17\" class=\"node\">\n",
-       "<title>587320d9&#45;3ed4&#45;4efc&#45;b172&#45;92755b614a2d</title>\n",
-       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"624.64,-444.75 580.11,-444.75 568.66,-408.75 613.19,-408.75 624.64,-444.75\"/>\n",
-       "<text text-anchor=\"middle\" x=\"596.65\" y=\"-424.02\" font-family=\"Times,serif\" font-size=\"8.00\">90</text>\n",
+       "<!-- sample_1_UnitCell -->\n",
+       "<g id=\"node10\" class=\"node\">\n",
+       "<title>sample_1_UnitCell</title>\n",
+       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"2262.02,-281.25 2173.27,-281.25 2173.27,-245.25 2262.02,-245.25 2262.02,-281.25\"/>\n",
+       "<text text-anchor=\"middle\" x=\"2217.65\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">sample_1_UnitCell</text>\n",
        "</g>\n",
-       "<!-- UnitCell_1LatticeAngle&#45;&gt;587320d9&#45;3ed4&#45;4efc&#45;b172&#45;92755b614a2d -->\n",
-       "<g id=\"edge10\" class=\"edge\">\n",
-       "<title>UnitCell_1LatticeAngle&#45;&gt;587320d9&#45;3ed4&#45;4efc&#45;b172&#45;92755b614a2d</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M535.86,-362.19C547.1,-367.1 558.33,-373.29 567.65,-381 573.69,-386 578.9,-392.58 583.18,-399.16\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"580.66,-400.77 588.76,-407.6 586.69,-397.21 580.66,-400.77\"/>\n",
-       "<text text-anchor=\"middle\" x=\"623.77\" y=\"-383.15\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasAngle_gamma</text>\n",
+       "<!-- sample_1_CrystalStructure&#45;&gt;sample_1_UnitCell -->\n",
+       "<g id=\"edge24\" class=\"edge\">\n",
+       "<title>sample_1_CrystalStructure&#45;&gt;sample_1_UnitCell</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M2236.95,-199.96C2231.26,-204.95 2225.91,-210.86 2222.4,-217.5 2219.8,-222.42 2218.28,-228.07 2217.43,-233.66\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"2213.97,-233.04 2216.66,-243.29 2220.95,-233.6 2213.97,-233.04\"/>\n",
+       "<text text-anchor=\"middle\" x=\"2255.77\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasUnitCell</text>\n",
        "</g>\n",
-       "<!-- 9cbcffcd&#45;202f&#45;4bd9&#45;8090&#45;ba35352e6ffe -->\n",
-       "<g id=\"node32\" class=\"node\">\n",
-       "<title>9cbcffcd&#45;202f&#45;4bd9&#45;8090&#45;ba35352e6ffe</title>\n",
-       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"698.64,-444.75 654.11,-444.75 642.66,-408.75 687.19,-408.75 698.64,-444.75\"/>\n",
-       "<text text-anchor=\"middle\" x=\"670.65\" y=\"-424.02\" font-family=\"Times,serif\" font-size=\"8.00\">90</text>\n",
+       "<!-- 6040c458&#45;4081&#45;45b7&#45;be5d&#45;e0a701526203 -->\n",
+       "<g id=\"node18\" class=\"node\">\n",
+       "<title>6040c458&#45;4081&#45;45b7&#45;be5d&#45;e0a701526203</title>\n",
+       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"2576.64,-281.25 2532.11,-281.25 2520.66,-245.25 2565.19,-245.25 2576.64,-281.25\"/>\n",
+       "<text text-anchor=\"middle\" x=\"2548.65\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">Bcc</text>\n",
        "</g>\n",
-       "<!-- UnitCell_1LatticeAngle&#45;&gt;9cbcffcd&#45;202f&#45;4bd9&#45;8090&#45;ba35352e6ffe -->\n",
-       "<g id=\"edge23\" class=\"edge\">\n",
-       "<title>UnitCell_1LatticeAngle&#45;&gt;9cbcffcd&#45;202f&#45;4bd9&#45;8090&#45;ba35352e6ffe</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M535.55,-348.33C586.07,-351.77 656.34,-360.25 673.65,-381 677.58,-385.71 678.81,-391.76 678.62,-397.87\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"675.03,-397.28 677.05,-407.68 681.95,-398.29 675.03,-397.28\"/>\n",
-       "<text text-anchor=\"middle\" x=\"718.77\" y=\"-383.15\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasAngle_beta</text>\n",
+       "<!-- sample_1_CrystalStructure&#45;&gt;6040c458&#45;4081&#45;45b7&#45;be5d&#45;e0a701526203 -->\n",
+       "<g id=\"edge11\" class=\"edge\">\n",
+       "<title>sample_1_CrystalStructure&#45;&gt;6040c458&#45;4081&#45;45b7&#45;be5d&#45;e0a701526203</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M2325.05,-197.71C2327.95,-198.33 2330.83,-198.93 2333.65,-199.5 2383.51,-209.51 2397.79,-203.41 2446.65,-217.5 2473.88,-225.35 2481.51,-231.27 2511.16,-244.98\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"2509.68,-248.16 2520.23,-249.1 2512.57,-241.78 2509.68,-248.16\"/>\n",
+       "<text text-anchor=\"middle\" x=\"2507.9\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasAltName</text>\n",
        "</g>\n",
-       "<!-- cmso.LatticeAngle&#45;&gt;cmso.Angle -->\n",
-       "<g id=\"edge53\" class=\"edge\">\n",
-       "<title>cmso.LatticeAngle&#45;&gt;cmso.Angle</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M461.51,-445.05C480.85,-456.65 506.54,-472.05 527.56,-484.66\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"525.47,-488.09 535.85,-490.23 529.07,-482.08 525.47,-488.09\"/>\n",
-       "<text text-anchor=\"middle\" x=\"529.77\" y=\"-464.9\" font-family=\"Times,serif\" font-size=\"8.00\">subClassOf</text>\n",
+       "<!-- c416e453&#45;b1e7&#45;44db&#45;b50f&#45;cab9f8c735fc -->\n",
+       "<g id=\"node49\" class=\"node\">\n",
+       "<title>c416e453&#45;b1e7&#45;44db&#45;b50f&#45;cab9f8c735fc</title>\n",
+       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"2107.64,-281.25 2063.11,-281.25 2051.66,-245.25 2096.19,-245.25 2107.64,-281.25\"/>\n",
+       "<text text-anchor=\"middle\" x=\"2079.65\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">229</text>\n",
        "</g>\n",
-       "<!-- cmso.LatticeParameter -->\n",
-       "<g id=\"node10\" class=\"node\">\n",
-       "<title>cmso.LatticeParameter</title>\n",
-       "<polygon fill=\"#ffffcc\" stroke=\"#ffffcc\" points=\"370.02,-444.75 263.27,-444.75 263.27,-408.75 370.02,-408.75 370.02,-444.75\"/>\n",
-       "<text text-anchor=\"middle\" x=\"316.65\" y=\"-424.02\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.LatticeParameter</text>\n",
+       "<!-- sample_1_CrystalStructure&#45;&gt;c416e453&#45;b1e7&#45;44db&#45;b50f&#45;cab9f8c735fc -->\n",
+       "<g id=\"edge43\" class=\"edge\">\n",
+       "<title>sample_1_CrystalStructure&#45;&gt;c416e453&#45;b1e7&#45;44db&#45;b50f&#45;cab9f8c735fc</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M2202.23,-197.62C2199.34,-198.27 2196.46,-198.9 2193.65,-199.5 2150.56,-208.7 2129.85,-189.11 2096.15,-217.5 2090.96,-221.87 2087.4,-228.04 2084.96,-234.4\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"2081.73,-232.96 2082.25,-243.55 2088.44,-234.95 2081.73,-232.96\"/>\n",
+       "<text text-anchor=\"middle\" x=\"2154.9\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasSpaceGroupNumber</text>\n",
        "</g>\n",
-       "<!-- cmso.Length -->\n",
-       "<g id=\"node11\" class=\"node\">\n",
-       "<title>cmso.Length</title>\n",
-       "<polygon fill=\"#ffffcc\" stroke=\"#ffffcc\" points=\"1492.15,-526.5 1425.15,-526.5 1425.15,-490.5 1492.15,-490.5 1492.15,-526.5\"/>\n",
-       "<text text-anchor=\"middle\" x=\"1458.65\" y=\"-505.77\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.Length</text>\n",
+       "<!-- sample_1_Species -->\n",
+       "<g id=\"node5\" class=\"node\">\n",
+       "<title>sample_1_Species</title>\n",
+       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"2938.9,-117.75 2852.4,-117.75 2852.4,-81.75 2938.9,-81.75 2938.9,-117.75\"/>\n",
+       "<text text-anchor=\"middle\" x=\"2895.65\" y=\"-97.03\" font-family=\"Times,serif\" font-size=\"8.00\">sample_1_Species</text>\n",
        "</g>\n",
-       "<!-- cmso.LatticeParameter&#45;&gt;cmso.Length -->\n",
-       "<g id=\"edge6\" class=\"edge\">\n",
-       "<title>cmso.LatticeParameter&#45;&gt;cmso.Length</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M370.47,-442.89C373.57,-443.57 376.64,-444.19 379.65,-444.75 456.97,-459.04 477.78,-451.85 555.65,-462.75 580.13,-466.18 585.83,-469.82 610.4,-472.5 916.55,-505.92 1288.02,-508.1 1414.24,-507.77\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"1414,-511.27 1423.99,-507.74 1413.98,-504.27 1414,-511.27\"/>\n",
-       "<text text-anchor=\"middle\" x=\"632.77\" y=\"-464.9\" font-family=\"Times,serif\" font-size=\"8.00\">subClassOf</text>\n",
+       "<!-- cce213ce&#45;e2e9&#45;4e48&#45;9a6b&#45;cc47db9cc06e -->\n",
+       "<g id=\"node6\" class=\"node\">\n",
+       "<title>cce213ce&#45;e2e9&#45;4e48&#45;9a6b&#45;cc47db9cc06e</title>\n",
+       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"3000.14,-199.5 2833.92,-199.5 2791.16,-163.5 2957.38,-163.5 3000.14,-199.5\"/>\n",
+       "<text text-anchor=\"middle\" x=\"2895.65\" y=\"-178.78\" font-family=\"Times,serif\" font-size=\"8.00\">Rdf_Structure_Store/1.Json</text>\n",
        "</g>\n",
-       "<!-- ANGSTROM -->\n",
-       "<g id=\"node33\" class=\"node\">\n",
-       "<title>ANGSTROM</title>\n",
-       "<polygon fill=\"#ffffcc\" stroke=\"#ffffcc\" points=\"1602.15,-608.25 1535.15,-608.25 1535.15,-572.25 1602.15,-572.25 1602.15,-608.25\"/>\n",
-       "<text text-anchor=\"middle\" x=\"1568.65\" y=\"-587.52\" font-family=\"Times,serif\" font-size=\"8.00\">ANGSTROM</text>\n",
+       "<!-- sample_1_Species&#45;&gt;cce213ce&#45;e2e9&#45;4e48&#45;9a6b&#45;cc47db9cc06e -->\n",
+       "<g id=\"edge3\" class=\"edge\">\n",
+       "<title>sample_1_Species&#45;&gt;cce213ce&#45;e2e9&#45;4e48&#45;9a6b&#45;cc47db9cc06e</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M2895.65,-118.05C2895.65,-127.98 2895.65,-140.69 2895.65,-152.05\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"2892.15,-151.72 2895.65,-161.72 2899.15,-151.72 2892.15,-151.72\"/>\n",
+       "<text text-anchor=\"middle\" x=\"2922.65\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasPath</text>\n",
        "</g>\n",
-       "<!-- cmso.Length&#45;&gt;ANGSTROM -->\n",
-       "<g id=\"edge41\" class=\"edge\">\n",
-       "<title>cmso.Length&#45;&gt;ANGSTROM</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M1482.52,-526.8C1498.23,-538.2 1519,-553.25 1536.2,-565.72\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"1533.68,-568.94 1543.83,-571.98 1537.79,-563.28 1533.68,-568.94\"/>\n",
-       "<text text-anchor=\"middle\" x=\"1547.27\" y=\"-546.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasUnit</text>\n",
+       "<!-- cmso.AtomAttribute -->\n",
+       "<g id=\"node34\" class=\"node\">\n",
+       "<title>cmso.AtomAttribute</title>\n",
+       "<polygon fill=\"#ffffcc\" stroke=\"#ffffcc\" points=\"3113.4,-199.5 3017.9,-199.5 3017.9,-163.5 3113.4,-163.5 3113.4,-199.5\"/>\n",
+       "<text text-anchor=\"middle\" x=\"3065.65\" y=\"-178.78\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.AtomAttribute</text>\n",
        "</g>\n",
-       "<!-- Sample_1 -->\n",
-       "<g id=\"node12\" class=\"node\">\n",
-       "<title>Sample_1</title>\n",
-       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"2070.77,-36 2016.52,-36 2016.52,0 2070.77,0 2070.77,-36\"/>\n",
-       "<text text-anchor=\"middle\" x=\"2043.65\" y=\"-15.28\" font-family=\"Times,serif\" font-size=\"8.00\">Sample_1</text>\n",
+       "<!-- sample_1_Species&#45;&gt;cmso.AtomAttribute -->\n",
+       "<g id=\"edge62\" class=\"edge\">\n",
+       "<title>sample_1_Species&#45;&gt;cmso.AtomAttribute</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M2932.54,-118.05C2957.62,-129.82 2991.05,-145.5 3018.13,-158.21\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"3016.63,-161.37 3027.17,-162.45 3019.6,-155.03 3016.63,-161.37\"/>\n",
+       "<text text-anchor=\"middle\" x=\"2999.27\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">type</text>\n",
        "</g>\n",
-       "<!-- Atom_1_0 -->\n",
-       "<g id=\"node13\" class=\"node\">\n",
-       "<title>Atom_1_0</title>\n",
-       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"2131.15,-117.75 2076.15,-117.75 2076.15,-81.75 2131.15,-81.75 2131.15,-117.75\"/>\n",
-       "<text text-anchor=\"middle\" x=\"2103.65\" y=\"-97.03\" font-family=\"Times,serif\" font-size=\"8.00\">Atom_1_0</text>\n",
+       "<!-- 55097bde&#45;e117&#45;4b24&#45;b0ee&#45;17848cd2a1d2 -->\n",
+       "<g id=\"node35\" class=\"node\">\n",
+       "<title>55097bde&#45;e117&#45;4b24&#45;b0ee&#45;17848cd2a1d2</title>\n",
+       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"2678.34,-199.5 2411.59,-199.5 2342.96,-163.5 2609.71,-163.5 2678.34,-199.5\"/>\n",
+       "<text text-anchor=\"middle\" x=\"2510.65\" y=\"-178.78\" font-family=\"Times,serif\" font-size=\"8.00\">Ce0Debfc&#45;1D4B&#45;4764&#45;8B94&#45;77B47F48D422</text>\n",
        "</g>\n",
-       "<!-- Sample_1&#45;&gt;Atom_1_0 -->\n",
-       "<g id=\"edge7\" class=\"edge\">\n",
-       "<title>Sample_1&#45;&gt;Atom_1_0</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M2056.67,-36.3C2064.69,-46.96 2075.12,-60.83 2084.12,-72.79\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"2081.85,-74.59 2090.66,-80.48 2087.44,-70.38 2081.85,-74.59\"/>\n",
-       "<text text-anchor=\"middle\" x=\"2105.15\" y=\"-56.15\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasAtom</text>\n",
+       "<!-- sample_1_Species&#45;&gt;55097bde&#45;e117&#45;4b24&#45;b0ee&#45;17848cd2a1d2 -->\n",
+       "<g id=\"edge27\" class=\"edge\">\n",
+       "<title>sample_1_Species&#45;&gt;55097bde&#45;e117&#45;4b24&#45;b0ee&#45;17848cd2a1d2</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M2852.23,-109.74C2792.79,-122.06 2684.47,-144.49 2605.71,-160.81\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"2605.36,-157.31 2596.28,-162.76 2606.78,-164.16 2605.36,-157.31\"/>\n",
+       "<text text-anchor=\"middle\" x=\"2762.02\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasIdentifier</text>\n",
        "</g>\n",
-       "<!-- cmso.AtomicScaleSample -->\n",
-       "<g id=\"node20\" class=\"node\">\n",
-       "<title>cmso.AtomicScaleSample</title>\n",
-       "<polygon fill=\"#ffffcc\" stroke=\"#ffffcc\" points=\"2265.9,-117.75 2149.4,-117.75 2149.4,-81.75 2265.9,-81.75 2265.9,-117.75\"/>\n",
-       "<text text-anchor=\"middle\" x=\"2207.65\" y=\"-97.03\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.AtomicScaleSample</text>\n",
+       "<!-- f105f641&#45;3945&#45;4f65&#45;bbd1&#45;f8a29f67f932 -->\n",
+       "<g id=\"node57\" class=\"node\">\n",
+       "<title>f105f641&#45;3945&#45;4f65&#45;bbd1&#45;f8a29f67f932</title>\n",
+       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"2773.41,-199.5 2711.75,-199.5 2695.89,-163.5 2757.55,-163.5 2773.41,-199.5\"/>\n",
+       "<text text-anchor=\"middle\" x=\"2734.65\" y=\"-178.78\" font-family=\"Times,serif\" font-size=\"8.00\">Species</text>\n",
        "</g>\n",
-       "<!-- Sample_1&#45;&gt;cmso.AtomicScaleSample -->\n",
-       "<g id=\"edge12\" class=\"edge\">\n",
-       "<title>Sample_1&#45;&gt;cmso.AtomicScaleSample</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M2071.03,-27.48C2090.14,-33.81 2115.99,-43.2 2137.65,-54 2149.95,-60.14 2162.8,-67.91 2174.08,-75.24\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"2171.87,-78.64 2182.13,-81.26 2175.74,-72.81 2171.87,-78.64\"/>\n",
-       "<text text-anchor=\"middle\" x=\"2161.27\" y=\"-56.15\" font-family=\"Times,serif\" font-size=\"8.00\">type</text>\n",
+       "<!-- sample_1_Species&#45;&gt;f105f641&#45;3945&#45;4f65&#45;bbd1&#45;f8a29f67f932 -->\n",
+       "<g id=\"edge51\" class=\"edge\">\n",
+       "<title>sample_1_Species&#45;&gt;f105f641&#45;3945&#45;4f65&#45;bbd1&#45;f8a29f67f932</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M2860.72,-118.05C2833.94,-131.32 2797.12,-149.55 2770.19,-162.89\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"2768.8,-159.68 2761.39,-167.25 2771.91,-165.95 2768.8,-159.68\"/>\n",
+       "<text text-anchor=\"middle\" x=\"2854.27\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasName</text>\n",
        "</g>\n",
-       "<!-- SimulationCell_1 -->\n",
-       "<g id=\"node23\" class=\"node\">\n",
-       "<title>SimulationCell_1</title>\n",
-       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"1540.65,-281.25 1458.65,-281.25 1458.65,-245.25 1540.65,-245.25 1540.65,-281.25\"/>\n",
-       "<text text-anchor=\"middle\" x=\"1499.65\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">SimulationCell_1</text>\n",
+       "<!-- sample_1_LatticeParameter -->\n",
+       "<g id=\"node7\" class=\"node\">\n",
+       "<title>sample_1_LatticeParameter</title>\n",
+       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"2280.02,-363 2155.27,-363 2155.27,-327 2280.02,-327 2280.02,-363\"/>\n",
+       "<text text-anchor=\"middle\" x=\"2217.65\" y=\"-342.27\" font-family=\"Times,serif\" font-size=\"8.00\">sample_1_LatticeParameter</text>\n",
        "</g>\n",
-       "<!-- Sample_1&#45;&gt;SimulationCell_1 -->\n",
-       "<g id=\"edge14\" class=\"edge\">\n",
-       "<title>Sample_1&#45;&gt;SimulationCell_1</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M2016.19,-22.35C1947.9,-31.59 1766.53,-61.86 1635.65,-135.75 1588.83,-162.19 1545.3,-207.85 1520.64,-236.48\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"1517.4,-233.89 1513.61,-243.78 1522.75,-238.41 1517.4,-233.89\"/>\n",
-       "<text text-anchor=\"middle\" x=\"1682.15\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasSimulationCell</text>\n",
+       "<!-- 76387bd6&#45;9993&#45;422f&#45;b505&#45;93836133874b -->\n",
+       "<g id=\"node8\" class=\"node\">\n",
+       "<title>76387bd6&#45;9993&#45;422f&#45;b505&#45;93836133874b</title>\n",
+       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"2165.3,-444.75 2119.72,-444.75 2108,-408.75 2153.58,-408.75 2165.3,-444.75\"/>\n",
+       "<text text-anchor=\"middle\" x=\"2136.65\" y=\"-424.02\" font-family=\"Times,serif\" font-size=\"8.00\">2.87</text>\n",
        "</g>\n",
-       "<!-- Material_1 -->\n",
-       "<g id=\"node27\" class=\"node\">\n",
-       "<title>Material_1</title>\n",
-       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"1331.65,-117.75 1273.65,-117.75 1273.65,-81.75 1331.65,-81.75 1331.65,-117.75\"/>\n",
-       "<text text-anchor=\"middle\" x=\"1302.65\" y=\"-97.03\" font-family=\"Times,serif\" font-size=\"8.00\">Material_1</text>\n",
+       "<!-- sample_1_LatticeParameter&#45;&gt;76387bd6&#45;9993&#45;422f&#45;b505&#45;93836133874b -->\n",
+       "<g id=\"edge4\" class=\"edge\">\n",
+       "<title>sample_1_LatticeParameter&#45;&gt;76387bd6&#45;9993&#45;422f&#45;b505&#45;93836133874b</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M2160.92,-363.32C2153.15,-367.93 2146.08,-373.72 2140.9,-381 2137.48,-385.8 2135.71,-391.67 2134.91,-397.55\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"2131.43,-396.95 2134.47,-407.1 2138.43,-397.27 2131.43,-396.95\"/>\n",
+       "<text text-anchor=\"middle\" x=\"2177.02\" y=\"-383.15\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasLength_x</text>\n",
        "</g>\n",
-       "<!-- Sample_1&#45;&gt;Material_1 -->\n",
-       "<g id=\"edge17\" class=\"edge\">\n",
-       "<title>Sample_1&#45;&gt;Material_1</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M2016.16,-19.73C1914.25,-22.56 1558.25,-33.7 1446.65,-54 1410.41,-60.59 1370.5,-73.46 1341.9,-83.71\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"1341.11,-80.64 1332.91,-87.35 1343.5,-87.22 1341.11,-80.64\"/>\n",
-       "<text text-anchor=\"middle\" x=\"1481.15\" y=\"-56.15\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasMaterial</text>\n",
+       "<!-- cmso.LatticeParameter -->\n",
+       "<g id=\"node26\" class=\"node\">\n",
+       "<title>cmso.LatticeParameter</title>\n",
+       "<polygon fill=\"#ffffcc\" stroke=\"#ffffcc\" points=\"2090.02,-444.75 1983.27,-444.75 1983.27,-408.75 2090.02,-408.75 2090.02,-444.75\"/>\n",
+       "<text text-anchor=\"middle\" x=\"2036.65\" y=\"-424.02\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.LatticeParameter</text>\n",
        "</g>\n",
-       "<!-- Atom_1_1 -->\n",
-       "<g id=\"node31\" class=\"node\">\n",
-       "<title>Atom_1_1</title>\n",
-       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"1999.15,-117.75 1944.15,-117.75 1944.15,-81.75 1999.15,-81.75 1999.15,-117.75\"/>\n",
-       "<text text-anchor=\"middle\" x=\"1971.65\" y=\"-97.03\" font-family=\"Times,serif\" font-size=\"8.00\">Atom_1_1</text>\n",
+       "<!-- sample_1_LatticeParameter&#45;&gt;cmso.LatticeParameter -->\n",
+       "<g id=\"edge16\" class=\"edge\">\n",
+       "<title>sample_1_LatticeParameter&#45;&gt;cmso.LatticeParameter</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M2159.53,-363.48C2144.6,-368.58 2128.71,-374.53 2114.4,-381 2100.63,-387.23 2086.12,-395.16 2073.42,-402.62\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"2071.75,-399.54 2064.97,-407.68 2075.34,-405.55 2071.75,-399.54\"/>\n",
+       "<text text-anchor=\"middle\" x=\"2122.27\" y=\"-383.15\" font-family=\"Times,serif\" font-size=\"8.00\">type</text>\n",
        "</g>\n",
-       "<!-- Sample_1&#45;&gt;Atom_1_1 -->\n",
+       "<!-- 9adb3c70&#45;7ff6&#45;49bd&#45;8ea9&#45;7c7af8d015b3 -->\n",
+       "<g id=\"node56\" class=\"node\">\n",
+       "<title>9adb3c70&#45;7ff6&#45;49bd&#45;8ea9&#45;7c7af8d015b3</title>\n",
+       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"2246.3,-444.75 2200.72,-444.75 2189,-408.75 2234.58,-408.75 2246.3,-444.75\"/>\n",
+       "<text text-anchor=\"middle\" x=\"2217.65\" y=\"-424.02\" font-family=\"Times,serif\" font-size=\"8.00\">2.87</text>\n",
+       "</g>\n",
+       "<!-- sample_1_LatticeParameter&#45;&gt;9adb3c70&#45;7ff6&#45;49bd&#45;8ea9&#45;7c7af8d015b3 -->\n",
        "<g id=\"edge50\" class=\"edge\">\n",
-       "<title>Sample_1&#45;&gt;Atom_1_1</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M2025.51,-36.49C2019.99,-41.99 2013.97,-48.15 2008.65,-54 2003.15,-60.05 1997.42,-66.76 1992.15,-73.1\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"1988.96,-70.47 1985.34,-80.43 1994.38,-74.91 1988.96,-70.47\"/>\n",
-       "<text text-anchor=\"middle\" x=\"2037.15\" y=\"-56.15\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasAtom</text>\n",
+       "<title>sample_1_LatticeParameter&#45;&gt;9adb3c70&#45;7ff6&#45;49bd&#45;8ea9&#45;7c7af8d015b3</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M2217.65,-363.3C2217.65,-373.23 2217.65,-385.94 2217.65,-397.3\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"2214.15,-396.97 2217.65,-406.97 2221.15,-396.97 2214.15,-396.97\"/>\n",
+       "<text text-anchor=\"middle\" x=\"2254.02\" y=\"-383.15\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasLength_y</text>\n",
        "</g>\n",
-       "<!-- d406b91d&#45;c313&#45;42fd&#45;9cd1&#45;790c81bd9483 -->\n",
-       "<g id=\"node63\" class=\"node\">\n",
-       "<title>d406b91d&#45;c313&#45;42fd&#45;9cd1&#45;790c81bd9483</title>\n",
-       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"2339.64,-117.75 2295.11,-117.75 2283.66,-81.75 2328.19,-81.75 2339.64,-117.75\"/>\n",
-       "<text text-anchor=\"middle\" x=\"2311.65\" y=\"-97.03\" font-family=\"Times,serif\" font-size=\"8.00\">2</text>\n",
+       "<!-- 49edef01&#45;b597&#45;48b8&#45;bc1f&#45;a6eba4788cc1 -->\n",
+       "<g id=\"node62\" class=\"node\">\n",
+       "<title>49edef01&#45;b597&#45;48b8&#45;bc1f&#45;a6eba4788cc1</title>\n",
+       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"2342.3,-444.75 2296.72,-444.75 2285,-408.75 2330.58,-408.75 2342.3,-444.75\"/>\n",
+       "<text text-anchor=\"middle\" x=\"2313.65\" y=\"-424.02\" font-family=\"Times,serif\" font-size=\"8.00\">2.87</text>\n",
        "</g>\n",
-       "<!-- Sample_1&#45;&gt;d406b91d&#45;c313&#45;42fd&#45;9cd1&#45;790c81bd9483 -->\n",
-       "<g id=\"edge59\" class=\"edge\">\n",
-       "<title>Sample_1&#45;&gt;d406b91d&#45;c313&#45;42fd&#45;9cd1&#45;790c81bd9483</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M2071.14,-24.89C2113.11,-34.21 2195.67,-53.87 2274.31,-81.97\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"2272.78,-85.5 2283.38,-85.62 2275.17,-78.92 2272.78,-85.5\"/>\n",
-       "<text text-anchor=\"middle\" x=\"2269.4\" y=\"-56.15\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasNumberOfAtoms</text>\n",
+       "<!-- sample_1_LatticeParameter&#45;&gt;49edef01&#45;b597&#45;48b8&#45;bc1f&#45;a6eba4788cc1 -->\n",
+       "<g id=\"edge57\" class=\"edge\">\n",
+       "<title>sample_1_LatticeParameter&#45;&gt;49edef01&#45;b597&#45;48b8&#45;bc1f&#45;a6eba4788cc1</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M2266.47,-363.32C2275.57,-368.07 2284.46,-373.92 2291.65,-381 2296.55,-385.83 2300.53,-391.97 2303.68,-398.14\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"2300.34,-399.25 2307.62,-406.95 2306.74,-396.39 2300.34,-399.25\"/>\n",
+       "<text text-anchor=\"middle\" x=\"2335.02\" y=\"-383.15\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasLength_z</text>\n",
        "</g>\n",
-       "<!-- Atom_1_0_Position -->\n",
-       "<g id=\"node35\" class=\"node\">\n",
-       "<title>Atom_1_0_Position</title>\n",
-       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"2202.4,-199.5 2112.9,-199.5 2112.9,-163.5 2202.4,-163.5 2202.4,-199.5\"/>\n",
-       "<text text-anchor=\"middle\" x=\"2157.65\" y=\"-178.78\" font-family=\"Times,serif\" font-size=\"8.00\">Atom_1_0_Position</text>\n",
+       "<!-- sample_1_UnitCell&#45;&gt;sample_1_LatticeParameter -->\n",
+       "<g id=\"edge6\" class=\"edge\">\n",
+       "<title>sample_1_UnitCell&#45;&gt;sample_1_LatticeParameter</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M2217.65,-281.55C2217.65,-291.48 2217.65,-304.19 2217.65,-315.55\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"2214.15,-315.22 2217.65,-325.22 2221.15,-315.22 2214.15,-315.22\"/>\n",
+       "<text text-anchor=\"middle\" x=\"2267.52\" y=\"-301.4\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasLatticeParamter</text>\n",
        "</g>\n",
-       "<!-- Atom_1_0&#45;&gt;Atom_1_0_Position -->\n",
-       "<g id=\"edge67\" class=\"edge\">\n",
-       "<title>Atom_1_0&#45;&gt;Atom_1_0_Position</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M2115.37,-118.05C2122.51,-128.61 2131.79,-142.31 2139.83,-154.19\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"2137.45,-155.91 2145.96,-162.23 2143.25,-151.99 2137.45,-155.91\"/>\n",
-       "<text text-anchor=\"middle\" x=\"2179.77\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasPositionVector</text>\n",
+       "<!-- sample_1_LatticeAngle -->\n",
+       "<g id=\"node32\" class=\"node\">\n",
+       "<title>sample_1_LatticeAngle</title>\n",
+       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"2517.02,-363 2410.27,-363 2410.27,-327 2517.02,-327 2517.02,-363\"/>\n",
+       "<text text-anchor=\"middle\" x=\"2463.65\" y=\"-342.27\" font-family=\"Times,serif\" font-size=\"8.00\">sample_1_LatticeAngle</text>\n",
        "</g>\n",
-       "<!-- cmso.Atom -->\n",
-       "<g id=\"node37\" class=\"node\">\n",
-       "<title>cmso.Atom</title>\n",
-       "<polygon fill=\"#ffffcc\" stroke=\"#ffffcc\" points=\"2094.4,-199.5 2034.9,-199.5 2034.9,-163.5 2094.4,-163.5 2094.4,-199.5\"/>\n",
-       "<text text-anchor=\"middle\" x=\"2064.65\" y=\"-178.78\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.Atom</text>\n",
+       "<!-- sample_1_UnitCell&#45;&gt;sample_1_LatticeAngle -->\n",
+       "<g id=\"edge22\" class=\"edge\">\n",
+       "<title>sample_1_UnitCell&#45;&gt;sample_1_LatticeAngle</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M2262.48,-278.78C2300.73,-291.18 2356.19,-309.16 2399.2,-323.11\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"2398.1,-326.43 2408.69,-326.18 2400.25,-319.77 2398.1,-326.43\"/>\n",
+       "<text text-anchor=\"middle\" x=\"2384.27\" y=\"-301.4\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasAngle</text>\n",
        "</g>\n",
-       "<!-- Atom_1_0&#45;&gt;cmso.Atom -->\n",
-       "<g id=\"edge78\" class=\"edge\">\n",
-       "<title>Atom_1_0&#45;&gt;cmso.Atom</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M2095.19,-118.05C2090.13,-128.4 2083.59,-141.77 2077.86,-153.48\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"2074.34,-151.71 2073.1,-162.23 2080.63,-154.78 2074.34,-151.71\"/>\n",
-       "<text text-anchor=\"middle\" x=\"2094.27\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">type</text>\n",
+       "<!-- wiki.Q851536 -->\n",
+       "<g id=\"node36\" class=\"node\">\n",
+       "<title>wiki.Q851536</title>\n",
+       "<polygon fill=\"#ffffcc\" stroke=\"#ffffcc\" points=\"2607.77,-363 2535.52,-363 2535.52,-327 2607.77,-327 2607.77,-363\"/>\n",
+       "<text text-anchor=\"middle\" x=\"2571.65\" y=\"-342.27\" font-family=\"Times,serif\" font-size=\"8.00\">wiki.Q851536</text>\n",
        "</g>\n",
-       "<!-- Atom_1_0_Element -->\n",
-       "<g id=\"node57\" class=\"node\">\n",
-       "<title>Atom_1_0_Element</title>\n",
-       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"2312.52,-199.5 2220.77,-199.5 2220.77,-163.5 2312.52,-163.5 2312.52,-199.5\"/>\n",
-       "<text text-anchor=\"middle\" x=\"2266.65\" y=\"-178.78\" font-family=\"Times,serif\" font-size=\"8.00\">Atom_1_0_Element</text>\n",
+       "<!-- sample_1_UnitCell&#45;&gt;wiki.Q851536 -->\n",
+       "<g id=\"edge28\" class=\"edge\">\n",
+       "<title>sample_1_UnitCell&#45;&gt;wiki.Q851536</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M2262.27,-278.99C2265.43,-279.82 2268.58,-280.58 2271.65,-281.25 2335.54,-295.12 2353.41,-287.09 2417.65,-299.25 2463.11,-307.86 2476.59,-311.7 2524.37,-326.73\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"2523.07,-329.99 2533.66,-329.66 2525.18,-323.31 2523.07,-329.99\"/>\n",
+       "<text text-anchor=\"middle\" x=\"2508.77\" y=\"-301.4\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasBravaisLattice</text>\n",
        "</g>\n",
-       "<!-- Atom_1_0&#45;&gt;Atom_1_0_Element -->\n",
-       "<g id=\"edge83\" class=\"edge\">\n",
-       "<title>Atom_1_0&#45;&gt;Atom_1_0_Element</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M2131.25,-114.27C2134.38,-115.55 2137.56,-116.74 2140.65,-117.75 2179.02,-130.26 2195.03,-115.01 2229.65,-135.75 2237.43,-140.41 2244.32,-147.33 2249.97,-154.34\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"2247.69,-156.14 2256.45,-162.1 2253.32,-151.98 2247.69,-156.14\"/>\n",
-       "<text text-anchor=\"middle\" x=\"2276.15\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasElement</text>\n",
+       "<!-- cmso.UnitCell -->\n",
+       "<g id=\"node60\" class=\"node\">\n",
+       "<title>cmso.UnitCell</title>\n",
+       "<polygon fill=\"#ffffcc\" stroke=\"#ffffcc\" points=\"2137.02,-363 2066.27,-363 2066.27,-327 2137.02,-327 2137.02,-363\"/>\n",
+       "<text text-anchor=\"middle\" x=\"2101.65\" y=\"-342.27\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.UnitCell</text>\n",
        "</g>\n",
-       "<!-- 862ae50f&#45;66eb&#45;4cde&#45;b4cd&#45;7ec855008146 -->\n",
-       "<g id=\"node73\" class=\"node\">\n",
-       "<title>862ae50f&#45;66eb&#45;4cde&#45;b4cd&#45;7ec855008146</title>\n",
-       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"2386.64,-199.5 2342.11,-199.5 2330.66,-163.5 2375.19,-163.5 2386.64,-199.5\"/>\n",
-       "<text text-anchor=\"middle\" x=\"2358.65\" y=\"-178.78\" font-family=\"Times,serif\" font-size=\"8.00\">14</text>\n",
+       "<!-- sample_1_UnitCell&#45;&gt;cmso.UnitCell -->\n",
+       "<g id=\"edge55\" class=\"edge\">\n",
+       "<title>sample_1_UnitCell&#45;&gt;cmso.UnitCell</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M2192.48,-281.55C2175.91,-292.95 2154.01,-308 2135.87,-320.47\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"2134.28,-317.32 2128.02,-325.87 2138.24,-323.09 2134.28,-317.32\"/>\n",
+       "<text text-anchor=\"middle\" x=\"2174.27\" y=\"-301.4\" font-family=\"Times,serif\" font-size=\"8.00\">type</text>\n",
        "</g>\n",
-       "<!-- Atom_1_0&#45;&gt;862ae50f&#45;66eb&#45;4cde&#45;b4cd&#45;7ec855008146 -->\n",
-       "<g id=\"edge79\" class=\"edge\">\n",
-       "<title>Atom_1_0&#45;&gt;862ae50f&#45;66eb&#45;4cde&#45;b4cd&#45;7ec855008146</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M2131.57,-114.73C2134.59,-115.89 2137.65,-116.93 2140.65,-117.75 2215.64,-138.25 2244.59,-102.04 2314.65,-135.75 2324.02,-140.26 2332.52,-147.63 2339.5,-155.1\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"2337.25,-156.84 2346.44,-162.11 2342.54,-152.26 2337.25,-156.84\"/>\n",
-       "<text text-anchor=\"middle\" x=\"2388.65\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasCoordinationNumber</text>\n",
+       "<!-- sample_1_Position -->\n",
+       "<g id=\"node11\" class=\"node\">\n",
+       "<title>sample_1_Position</title>\n",
+       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"3214.27,-117.75 3127.02,-117.75 3127.02,-81.75 3214.27,-81.75 3214.27,-117.75\"/>\n",
+       "<text text-anchor=\"middle\" x=\"3170.65\" y=\"-97.03\" font-family=\"Times,serif\" font-size=\"8.00\">sample_1_Position</text>\n",
        "</g>\n",
-       "<!-- UnitCell_1 -->\n",
-       "<g id=\"node14\" class=\"node\">\n",
-       "<title>UnitCell_1</title>\n",
-       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"385.27,-281.25 328.02,-281.25 328.02,-245.25 385.27,-245.25 385.27,-281.25\"/>\n",
-       "<text text-anchor=\"middle\" x=\"356.65\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">UnitCell_1</text>\n",
+       "<!-- 6d6cf958&#45;fc5b&#45;48bd&#45;a416&#45;9d6f2142b1c6 -->\n",
+       "<g id=\"node12\" class=\"node\">\n",
+       "<title>6d6cf958&#45;fc5b&#45;48bd&#45;a416&#45;9d6f2142b1c6</title>\n",
+       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"3210.04,-199.5 3147.38,-199.5 3131.26,-163.5 3193.92,-163.5 3210.04,-199.5\"/>\n",
+       "<text text-anchor=\"middle\" x=\"3170.65\" y=\"-178.78\" font-family=\"Times,serif\" font-size=\"8.00\">Position</text>\n",
        "</g>\n",
-       "<!-- UnitCell_1&#45;&gt;UnitCell_1LatticeAngle -->\n",
-       "<g id=\"edge63\" class=\"edge\">\n",
-       "<title>UnitCell_1&#45;&gt;UnitCell_1LatticeAngle</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M383.77,-281.55C401.79,-293.05 425.66,-308.28 445.31,-320.82\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"443.27,-324.3 453.58,-326.73 447.03,-318.4 443.27,-324.3\"/>\n",
-       "<text text-anchor=\"middle\" x=\"456.27\" y=\"-301.4\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasAngle</text>\n",
+       "<!-- sample_1_Position&#45;&gt;6d6cf958&#45;fc5b&#45;48bd&#45;a416&#45;9d6f2142b1c6 -->\n",
+       "<g id=\"edge7\" class=\"edge\">\n",
+       "<title>sample_1_Position&#45;&gt;6d6cf958&#45;fc5b&#45;48bd&#45;a416&#45;9d6f2142b1c6</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M3170.65,-118.05C3170.65,-127.98 3170.65,-140.69 3170.65,-152.05\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"3167.15,-151.72 3170.65,-161.72 3174.15,-151.72 3167.15,-151.72\"/>\n",
+       "<text text-anchor=\"middle\" x=\"3200.27\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasName</text>\n",
        "</g>\n",
-       "<!-- UnitCell_1LatticeParameter -->\n",
-       "<g id=\"node15\" class=\"node\">\n",
-       "<title>UnitCell_1LatticeParameter</title>\n",
-       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"285.4,-363 159.9,-363 159.9,-327 285.4,-327 285.4,-363\"/>\n",
-       "<text text-anchor=\"middle\" x=\"222.65\" y=\"-342.27\" font-family=\"Times,serif\" font-size=\"8.00\">UnitCell_1LatticeParameter</text>\n",
+       "<!-- 3729f05e&#45;7dc8&#45;4a66&#45;8aba&#45;9df6200cee37 -->\n",
+       "<g id=\"node31\" class=\"node\">\n",
+       "<title>3729f05e&#45;7dc8&#45;4a66&#45;8aba&#45;9df6200cee37</title>\n",
+       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"3437.14,-199.5 3270.92,-199.5 3228.16,-163.5 3394.38,-163.5 3437.14,-199.5\"/>\n",
+       "<text text-anchor=\"middle\" x=\"3332.65\" y=\"-178.78\" font-family=\"Times,serif\" font-size=\"8.00\">Rdf_Structure_Store/1.Json</text>\n",
        "</g>\n",
-       "<!-- UnitCell_1&#45;&gt;UnitCell_1LatticeParameter -->\n",
-       "<g id=\"edge8\" class=\"edge\">\n",
-       "<title>UnitCell_1&#45;&gt;UnitCell_1LatticeParameter</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M327.87,-268.77C305.62,-273.42 274.98,-282.43 252.9,-299.25 246.44,-304.17 240.88,-310.89 236.37,-317.62\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"233.08,-315.28 230.86,-325.64 239.06,-318.93 233.08,-315.28\"/>\n",
-       "<text text-anchor=\"middle\" x=\"303.52\" y=\"-301.4\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasLatticeParamter</text>\n",
+       "<!-- sample_1_Position&#45;&gt;3729f05e&#45;7dc8&#45;4a66&#45;8aba&#45;9df6200cee37 -->\n",
+       "<g id=\"edge21\" class=\"edge\">\n",
+       "<title>sample_1_Position&#45;&gt;3729f05e&#45;7dc8&#45;4a66&#45;8aba&#45;9df6200cee37</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M3205.8,-118.05C3229.6,-129.77 3261.28,-145.36 3287.02,-158.04\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"3285.41,-161.15 3295.93,-162.42 3288.5,-154.87 3285.41,-161.15\"/>\n",
+       "<text text-anchor=\"middle\" x=\"3287.65\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasPath</text>\n",
        "</g>\n",
-       "<!-- cmso.UnitCell -->\n",
-       "<g id=\"node61\" class=\"node\">\n",
-       "<title>cmso.UnitCell</title>\n",
-       "<polygon fill=\"#ffffcc\" stroke=\"#ffffcc\" points=\"392.02,-363 321.27,-363 321.27,-327 392.02,-327 392.02,-363\"/>\n",
-       "<text text-anchor=\"middle\" x=\"356.65\" y=\"-342.27\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.UnitCell</text>\n",
+       "<!-- 128789f9&#45;d54c&#45;4f1d&#45;a6e4&#45;f67beed16151 -->\n",
+       "<g id=\"node33\" class=\"node\">\n",
+       "<title>128789f9&#45;d54c&#45;4f1d&#45;a6e4&#45;f67beed16151</title>\n",
+       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"3791.97,-199.5 3524.21,-199.5 3455.33,-163.5 3723.09,-163.5 3791.97,-199.5\"/>\n",
+       "<text text-anchor=\"middle\" x=\"3623.65\" y=\"-178.78\" font-family=\"Times,serif\" font-size=\"8.00\">3D81Bcb3&#45;7B80&#45;44F9&#45;A30E&#45;627166242012</text>\n",
        "</g>\n",
-       "<!-- UnitCell_1&#45;&gt;cmso.UnitCell -->\n",
-       "<g id=\"edge56\" class=\"edge\">\n",
-       "<title>UnitCell_1&#45;&gt;cmso.UnitCell</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M356.65,-281.55C356.65,-291.59 356.65,-304.46 356.65,-315.91\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"353.15,-315.73 356.65,-325.73 360.15,-315.73 353.15,-315.73\"/>\n",
-       "<text text-anchor=\"middle\" x=\"365.27\" y=\"-301.4\" font-family=\"Times,serif\" font-size=\"8.00\">type</text>\n",
+       "<!-- sample_1_Position&#45;&gt;128789f9&#45;d54c&#45;4f1d&#45;a6e4&#45;f67beed16151 -->\n",
+       "<g id=\"edge25\" class=\"edge\">\n",
+       "<title>sample_1_Position&#45;&gt;128789f9&#45;d54c&#45;4f1d&#45;a6e4&#45;f67beed16151</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M3214.77,-115.71C3217.42,-116.44 3220.06,-117.13 3222.65,-117.75 3248.89,-124.05 3387.34,-145.28 3494.3,-161.32\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"3493.62,-164.76 3504.03,-162.78 3494.66,-157.83 3493.62,-164.76\"/>\n",
+       "<text text-anchor=\"middle\" x=\"3419.02\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasIdentifier</text>\n",
        "</g>\n",
-       "<!-- wiki.Q851536 -->\n",
-       "<g id=\"node62\" class=\"node\">\n",
-       "<title>wiki.Q851536</title>\n",
-       "<polygon fill=\"#ffffcc\" stroke=\"#ffffcc\" points=\"141.77,-363 69.52,-363 69.52,-327 141.77,-327 141.77,-363\"/>\n",
-       "<text text-anchor=\"middle\" x=\"105.65\" y=\"-342.27\" font-family=\"Times,serif\" font-size=\"8.00\">wiki.Q851536</text>\n",
+       "<!-- sample_1_Position&#45;&gt;cmso.AtomAttribute -->\n",
+       "<g id=\"edge26\" class=\"edge\">\n",
+       "<title>sample_1_Position&#45;&gt;cmso.AtomAttribute</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M3147.87,-118.05C3133.14,-129.24 3113.77,-143.95 3097.53,-156.29\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"3095.44,-153.48 3089.59,-162.31 3099.67,-159.05 3095.44,-153.48\"/>\n",
+       "<text text-anchor=\"middle\" x=\"3132.27\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">type</text>\n",
        "</g>\n",
-       "<!-- UnitCell_1&#45;&gt;wiki.Q851536 -->\n",
-       "<g id=\"edge58\" class=\"edge\">\n",
-       "<title>UnitCell_1&#45;&gt;wiki.Q851536</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M327.72,-263.38C285.53,-263.32 205.81,-267.88 147.4,-299.25 138.65,-303.95 130.73,-311.18 124.19,-318.47\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"120.89,-315.97 117.19,-325.9 126.27,-320.44 120.89,-315.97\"/>\n",
-       "<text text-anchor=\"middle\" x=\"193.77\" y=\"-301.4\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasBravaisLattice</text>\n",
+       "<!-- sample_1 -->\n",
+       "<g id=\"node13\" class=\"node\">\n",
+       "<title>sample_1</title>\n",
+       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"3197.65,-36 3143.65,-36 3143.65,0 3197.65,0 3197.65,-36\"/>\n",
+       "<text text-anchor=\"middle\" x=\"3170.65\" y=\"-15.28\" font-family=\"Times,serif\" font-size=\"8.00\">sample_1</text>\n",
        "</g>\n",
-       "<!-- UnitCell_1LatticeParameter&#45;&gt;cmso.LatticeParameter -->\n",
-       "<g id=\"edge36\" class=\"edge\">\n",
-       "<title>UnitCell_1LatticeParameter&#45;&gt;cmso.LatticeParameter</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M269.78,-363.31C278.76,-368.08 287.56,-373.94 294.65,-381 299.64,-385.97 303.68,-392.3 306.87,-398.63\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"303.94,-399.65 311.2,-407.37 310.34,-396.81 303.94,-399.65\"/>\n",
-       "<text text-anchor=\"middle\" x=\"311.27\" y=\"-383.15\" font-family=\"Times,serif\" font-size=\"8.00\">type</text>\n",
+       "<!-- sample_1&#45;&gt;sample_1_SimulationCell -->\n",
+       "<g id=\"edge8\" class=\"edge\">\n",
+       "<title>sample_1&#45;&gt;sample_1_SimulationCell</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M3143.25,-18.57C3028.37,-17.23 2574.63,-16.59 2209.65,-81.75 2001.53,-118.91 1763.58,-201.64 1657.2,-240.85\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"1655.99,-237.57 1647.82,-244.32 1658.42,-244.13 1655.99,-237.57\"/>\n",
+       "<text text-anchor=\"middle\" x=\"2021.15\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasSimulationCell</text>\n",
        "</g>\n",
-       "<!-- 87809618&#45;1f00&#45;448f&#45;9b86&#45;470d3d6b488a -->\n",
-       "<g id=\"node28\" class=\"node\">\n",
-       "<title>87809618&#45;1f00&#45;448f&#45;9b86&#45;470d3d6b488a</title>\n",
-       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"57.3,-444.75 11.72,-444.75 0,-408.75 45.58,-408.75 57.3,-444.75\"/>\n",
-       "<text text-anchor=\"middle\" x=\"28.65\" y=\"-424.02\" font-family=\"Times,serif\" font-size=\"8.00\">2.87</text>\n",
+       "<!-- sample_1&#45;&gt;sample_1_Species -->\n",
+       "<g id=\"edge67\" class=\"edge\">\n",
+       "<title>sample_1&#45;&gt;sample_1_Species</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M3143.28,-26.94C3098.35,-39.97 3008.16,-66.12 2949.92,-83.01\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"2949.16,-79.59 2940.53,-85.74 2951.11,-86.31 2949.16,-79.59\"/>\n",
+       "<text text-anchor=\"middle\" x=\"3084.65\" y=\"-56.15\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasAttribute</text>\n",
        "</g>\n",
-       "<!-- UnitCell_1LatticeParameter&#45;&gt;87809618&#45;1f00&#45;448f&#45;9b86&#45;470d3d6b488a -->\n",
-       "<g id=\"edge18\" class=\"edge\">\n",
-       "<title>UnitCell_1LatticeParameter&#45;&gt;87809618&#45;1f00&#45;448f&#45;9b86&#45;470d3d6b488a</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M159.46,-361.06C156.49,-361.72 153.54,-362.37 150.65,-363 110.47,-371.73 94.33,-358.52 59.9,-381 52.92,-385.56 47.04,-392.27 42.34,-399.12\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"38.92,-397 36.66,-407.35 44.88,-400.67 38.92,-397\"/>\n",
-       "<text text-anchor=\"middle\" x=\"97.02\" y=\"-383.15\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasLength_z</text>\n",
+       "<!-- sample_1&#45;&gt;sample_1_Position -->\n",
+       "<g id=\"edge29\" class=\"edge\">\n",
+       "<title>sample_1&#45;&gt;sample_1_Position</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M3170.65,-36.3C3170.65,-46.23 3170.65,-58.94 3170.65,-70.3\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"3167.15,-69.97 3170.65,-79.97 3174.15,-69.97 3167.15,-69.97\"/>\n",
+       "<text text-anchor=\"middle\" x=\"3206.65\" y=\"-56.15\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasAttribute</text>\n",
        "</g>\n",
-       "<!-- 2241cf8c&#45;5625&#45;495a&#45;9958&#45;c0aa70288628 -->\n",
-       "<g id=\"node43\" class=\"node\">\n",
-       "<title>2241cf8c&#45;5625&#45;495a&#45;9958&#45;c0aa70288628</title>\n",
-       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"153.3,-444.75 107.72,-444.75 96,-408.75 141.58,-408.75 153.3,-444.75\"/>\n",
-       "<text text-anchor=\"middle\" x=\"124.65\" y=\"-424.02\" font-family=\"Times,serif\" font-size=\"8.00\">2.87</text>\n",
+       "<!-- sample_1_ChemicalSpecies -->\n",
+       "<g id=\"node42\" class=\"node\">\n",
+       "<title>sample_1_ChemicalSpecies</title>\n",
+       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"3355.27,-117.75 3232.02,-117.75 3232.02,-81.75 3355.27,-81.75 3355.27,-117.75\"/>\n",
+       "<text text-anchor=\"middle\" x=\"3293.65\" y=\"-97.03\" font-family=\"Times,serif\" font-size=\"8.00\">sample_1_ChemicalSpecies</text>\n",
        "</g>\n",
-       "<!-- UnitCell_1LatticeParameter&#45;&gt;2241cf8c&#45;5625&#45;495a&#45;9958&#45;c0aa70288628 -->\n",
-       "<g id=\"edge33\" class=\"edge\">\n",
-       "<title>UnitCell_1LatticeParameter&#45;&gt;2241cf8c&#45;5625&#45;495a&#45;9958&#45;c0aa70288628</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M167.58,-363.41C158.54,-368.06 149.86,-373.85 142.9,-381 138.25,-385.77 134.73,-391.89 132.08,-398.07\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"128.5,-396.68 128.41,-407.27 135.09,-399.05 128.5,-396.68\"/>\n",
-       "<text text-anchor=\"middle\" x=\"180.02\" y=\"-383.15\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasLength_y</text>\n",
+       "<!-- sample_1&#45;&gt;sample_1_ChemicalSpecies -->\n",
+       "<g id=\"edge35\" class=\"edge\">\n",
+       "<title>sample_1&#45;&gt;sample_1_ChemicalSpecies</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M3197.82,-28.96C3212.86,-35.08 3231.5,-43.72 3246.65,-54 3254.96,-59.64 3263.18,-66.77 3270.36,-73.68\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"3267.65,-75.92 3277.2,-80.51 3272.6,-70.97 3267.65,-75.92\"/>\n",
+       "<text text-anchor=\"middle\" x=\"3291.65\" y=\"-56.15\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasSpecies</text>\n",
        "</g>\n",
-       "<!-- 250392d7&#45;0b58&#45;4567&#45;b4bd&#45;31d2c6bf6a8d -->\n",
-       "<g id=\"node48\" class=\"node\">\n",
-       "<title>250392d7&#45;0b58&#45;4567&#45;b4bd&#45;31d2c6bf6a8d</title>\n",
-       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"245.3,-444.75 199.72,-444.75 188,-408.75 233.58,-408.75 245.3,-444.75\"/>\n",
-       "<text text-anchor=\"middle\" x=\"216.65\" y=\"-424.02\" font-family=\"Times,serif\" font-size=\"8.00\">2.87</text>\n",
+       "<!-- 245e522a&#45;6b88&#45;4093&#45;849d&#45;a56e4bb32488 -->\n",
+       "<g id=\"node43\" class=\"node\">\n",
+       "<title>245e522a&#45;6b88&#45;4093&#45;849d&#45;a56e4bb32488</title>\n",
+       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"3429.64,-117.75 3385.11,-117.75 3373.66,-81.75 3418.19,-81.75 3429.64,-117.75\"/>\n",
+       "<text text-anchor=\"middle\" x=\"3401.65\" y=\"-97.03\" font-family=\"Times,serif\" font-size=\"8.00\">2</text>\n",
        "</g>\n",
-       "<!-- UnitCell_1LatticeParameter&#45;&gt;250392d7&#45;0b58&#45;4567&#45;b4bd&#45;31d2c6bf6a8d -->\n",
-       "<g id=\"edge39\" class=\"edge\">\n",
-       "<title>UnitCell_1LatticeParameter&#45;&gt;250392d7&#45;0b58&#45;4567&#45;b4bd&#45;31d2c6bf6a8d</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M221.35,-363.3C220.59,-373.34 219.62,-386.21 218.76,-397.66\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"215.21,-397.24 217.95,-407.48 222.19,-397.77 215.21,-397.24\"/>\n",
-       "<text text-anchor=\"middle\" x=\"257.02\" y=\"-383.15\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasLength_x</text>\n",
+       "<!-- sample_1&#45;&gt;245e522a&#45;6b88&#45;4093&#45;849d&#45;a56e4bb32488 -->\n",
+       "<g id=\"edge36\" class=\"edge\">\n",
+       "<title>sample_1&#45;&gt;245e522a&#45;6b88&#45;4093&#45;849d&#45;a56e4bb32488</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M3198.02,-22.26C3230.19,-26.71 3284.76,-36.27 3328.65,-54 3342.22,-59.48 3356.14,-67.36 3368.15,-74.99\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"3366.18,-77.89 3376.46,-80.45 3370.02,-72.04 3366.18,-77.89\"/>\n",
+       "<text text-anchor=\"middle\" x=\"3399.4\" y=\"-56.15\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasNumberOfAtoms</text>\n",
        "</g>\n",
-       "<!-- SimulationCell_1Angle -->\n",
-       "<g id=\"node16\" class=\"node\">\n",
-       "<title>SimulationCell_1Angle</title>\n",
-       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"1009.27,-363 904.02,-363 904.02,-327 1009.27,-327 1009.27,-363\"/>\n",
-       "<text text-anchor=\"middle\" x=\"956.65\" y=\"-342.27\" font-family=\"Times,serif\" font-size=\"8.00\">SimulationCell_1Angle</text>\n",
+       "<!-- sample_1_Material -->\n",
+       "<g id=\"node44\" class=\"node\">\n",
+       "<title>sample_1_Material</title>\n",
+       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"2308.4,-117.75 2218.9,-117.75 2218.9,-81.75 2308.4,-81.75 2308.4,-117.75\"/>\n",
+       "<text text-anchor=\"middle\" x=\"2263.65\" y=\"-97.03\" font-family=\"Times,serif\" font-size=\"8.00\">sample_1_Material</text>\n",
        "</g>\n",
-       "<!-- SimulationCell_1Angle&#45;&gt;cmso.SimulationCellAngle -->\n",
-       "<g id=\"edge9\" class=\"edge\">\n",
-       "<title>SimulationCell_1Angle&#45;&gt;cmso.SimulationCellAngle</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M903.66,-360.36C885.76,-365.94 865.89,-372.94 848.4,-381 835.22,-387.08 821.49,-395.04 809.56,-402.57\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"807.92,-400.11 801.41,-408.47 811.71,-405.99 807.92,-400.11\"/>\n",
-       "<text text-anchor=\"middle\" x=\"857.27\" y=\"-383.15\" font-family=\"Times,serif\" font-size=\"8.00\">type</text>\n",
+       "<!-- sample_1&#45;&gt;sample_1_Material -->\n",
+       "<g id=\"edge68\" class=\"edge\">\n",
+       "<title>sample_1&#45;&gt;sample_1_Material</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M3143.51,-21.39C3018.17,-32.41 2494.12,-78.49 2320.1,-93.79\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"2319.83,-90.3 2310.17,-94.66 2320.44,-97.27 2319.83,-90.3\"/>\n",
+       "<text text-anchor=\"middle\" x=\"2805.15\" y=\"-56.15\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasMaterial</text>\n",
        "</g>\n",
-       "<!-- 9e25745c&#45;61c0&#45;496c&#45;b6b5&#45;ccda71dcfce7 -->\n",
-       "<g id=\"node34\" class=\"node\">\n",
-       "<title>9e25745c&#45;61c0&#45;496c&#45;b6b5&#45;ccda71dcfce7</title>\n",
-       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"985.3,-444.75 939.72,-444.75 928,-408.75 973.58,-408.75 985.3,-444.75\"/>\n",
-       "<text text-anchor=\"middle\" x=\"956.65\" y=\"-424.02\" font-family=\"Times,serif\" font-size=\"8.00\">90.0</text>\n",
+       "<!-- cmso.AtomicScaleSample -->\n",
+       "<g id=\"node71\" class=\"node\">\n",
+       "<title>cmso.AtomicScaleSample</title>\n",
+       "<polygon fill=\"#ffffcc\" stroke=\"#ffffcc\" points=\"3571.9,-117.75 3455.4,-117.75 3455.4,-81.75 3571.9,-81.75 3571.9,-117.75\"/>\n",
+       "<text text-anchor=\"middle\" x=\"3513.65\" y=\"-97.03\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.AtomicScaleSample</text>\n",
        "</g>\n",
-       "<!-- SimulationCell_1Angle&#45;&gt;9e25745c&#45;61c0&#45;496c&#45;b6b5&#45;ccda71dcfce7 -->\n",
-       "<g id=\"edge25\" class=\"edge\">\n",
-       "<title>SimulationCell_1Angle&#45;&gt;9e25745c&#45;61c0&#45;496c&#45;b6b5&#45;ccda71dcfce7</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M956.65,-363.3C956.65,-373.34 956.65,-386.21 956.65,-397.66\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"953.15,-397.48 956.65,-407.48 960.15,-397.48 953.15,-397.48\"/>\n",
-       "<text text-anchor=\"middle\" x=\"999.02\" y=\"-383.15\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasAngle_alpha</text>\n",
+       "<!-- sample_1&#45;&gt;cmso.AtomicScaleSample -->\n",
+       "<g id=\"edge73\" class=\"edge\">\n",
+       "<title>sample_1&#45;&gt;cmso.AtomicScaleSample</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M3198.04,-20.52C3260.04,-24.25 3409.31,-34.97 3455.65,-54 3467.24,-58.76 3478.5,-66.48 3487.97,-74.18\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"3485.43,-76.62 3495.3,-80.48 3489.99,-71.31 3485.43,-76.62\"/>\n",
+       "<text text-anchor=\"middle\" x=\"3481.27\" y=\"-56.15\" font-family=\"Times,serif\" font-size=\"8.00\">type</text>\n",
        "</g>\n",
-       "<!-- 1146f809&#45;d0cc&#45;40b0&#45;99d3&#45;b531a14f1dfe -->\n",
-       "<g id=\"node46\" class=\"node\">\n",
-       "<title>1146f809&#45;d0cc&#45;40b0&#45;99d3&#45;b531a14f1dfe</title>\n",
-       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"1093.3,-444.75 1047.72,-444.75 1036,-408.75 1081.58,-408.75 1093.3,-444.75\"/>\n",
-       "<text text-anchor=\"middle\" x=\"1064.65\" y=\"-424.02\" font-family=\"Times,serif\" font-size=\"8.00\">90.0</text>\n",
+       "<!-- b2f58529&#45;e052&#45;4965&#45;af1f&#45;0a24e27e0b78 -->\n",
+       "<g id=\"node15\" class=\"node\">\n",
+       "<title>b2f58529&#45;e052&#45;4965&#45;af1f&#45;0a24e27e0b78</title>\n",
+       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"1156.3,-444.75 1110.72,-444.75 1099,-408.75 1144.58,-408.75 1156.3,-444.75\"/>\n",
+       "<text text-anchor=\"middle\" x=\"1127.65\" y=\"-424.02\" font-family=\"Times,serif\" font-size=\"8.00\">90.0</text>\n",
        "</g>\n",
-       "<!-- SimulationCell_1Angle&#45;&gt;1146f809&#45;d0cc&#45;40b0&#45;99d3&#45;b531a14f1dfe -->\n",
-       "<g id=\"edge37\" class=\"edge\">\n",
-       "<title>SimulationCell_1Angle&#45;&gt;1146f809&#45;d0cc&#45;40b0&#45;99d3&#45;b531a14f1dfe</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M1009.77,-360.61C1021.58,-365.66 1033.33,-372.32 1042.65,-381 1047.89,-385.88 1052.04,-392.28 1055.25,-398.7\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"1052.36,-399.83 1059.57,-407.6 1058.78,-397.04 1052.36,-399.83\"/>\n",
-       "<text text-anchor=\"middle\" x=\"1096.77\" y=\"-383.15\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasAngle_gamma</text>\n",
+       "<!-- sample_1_SimulationCellAngle&#45;&gt;b2f58529&#45;e052&#45;4965&#45;af1f&#45;0a24e27e0b78 -->\n",
+       "<g id=\"edge9\" class=\"edge\">\n",
+       "<title>sample_1_SimulationCellAngle&#45;&gt;b2f58529&#45;e052&#45;4965&#45;af1f&#45;0a24e27e0b78</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M1111.47,-363.16C1111.26,-371.56 1111.56,-381.77 1113.4,-390.75 1113.87,-393.06 1114.49,-395.41 1115.21,-397.75\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"1111.84,-398.73 1118.57,-406.92 1118.42,-396.33 1111.84,-398.73\"/>\n",
+       "<text text-anchor=\"middle\" x=\"1153.77\" y=\"-383.15\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasAngle_beta</text>\n",
        "</g>\n",
-       "<!-- ac35205c&#45;f1f7&#45;4ead&#45;bdea&#45;c4a7b10f44ab -->\n",
-       "<g id=\"node47\" class=\"node\">\n",
-       "<title>ac35205c&#45;f1f7&#45;4ead&#45;bdea&#45;c4a7b10f44ab</title>\n",
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-       "<text text-anchor=\"middle\" x=\"881.65\" y=\"-424.02\" font-family=\"Times,serif\" font-size=\"8.00\">90.0</text>\n",
+       "<!-- cmso.SimulationCellAngle -->\n",
+       "<g id=\"node23\" class=\"node\">\n",
+       "<title>cmso.SimulationCellAngle</title>\n",
+       "<polygon fill=\"#ffffcc\" stroke=\"#ffffcc\" points=\"1081.02,-444.75 962.27,-444.75 962.27,-408.75 1081.02,-408.75 1081.02,-444.75\"/>\n",
+       "<text text-anchor=\"middle\" x=\"1021.65\" y=\"-424.02\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.SimulationCellAngle</text>\n",
        "</g>\n",
-       "<!-- SimulationCell_1Angle&#45;&gt;ac35205c&#45;f1f7&#45;4ead&#45;bdea&#45;c4a7b10f44ab -->\n",
-       "<g id=\"edge38\" class=\"edge\">\n",
-       "<title>SimulationCell_1Angle&#45;&gt;ac35205c&#45;f1f7&#45;4ead&#45;bdea&#45;c4a7b10f44ab</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M903.66,-357.18C891.4,-362.36 879.79,-369.93 872.4,-381 869.04,-386.03 868.5,-392.04 869.41,-397.99\"/>\n",
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-       "<text text-anchor=\"middle\" x=\"912.77\" y=\"-383.15\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasAngle_beta</text>\n",
+       "<!-- sample_1_SimulationCellAngle&#45;&gt;cmso.SimulationCellAngle -->\n",
+       "<g id=\"edge14\" class=\"edge\">\n",
+       "<title>sample_1_SimulationCellAngle&#45;&gt;cmso.SimulationCellAngle</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M1092.9,-363.3C1080.26,-374.38 1063.67,-388.93 1049.68,-401.19\"/>\n",
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+       "<text text-anchor=\"middle\" x=\"1081.27\" y=\"-383.15\" font-family=\"Times,serif\" font-size=\"8.00\">type</text>\n",
        "</g>\n",
-       "<!-- SimulationCell_1Vector02 -->\n",
-       "<g id=\"node18\" class=\"node\">\n",
-       "<title>SimulationCell_1Vector02</title>\n",
-       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"2367.65,-363 2249.65,-363 2249.65,-327 2367.65,-327 2367.65,-363\"/>\n",
-       "<text text-anchor=\"middle\" x=\"2308.65\" y=\"-342.27\" font-family=\"Times,serif\" font-size=\"8.00\">SimulationCell_1Vector02</text>\n",
+       "<!-- 0c3d07b6&#45;7f07&#45;4dc3&#45;9c3c&#45;ed54da72012b -->\n",
+       "<g id=\"node27\" class=\"node\">\n",
+       "<title>0c3d07b6&#45;7f07&#45;4dc3&#45;9c3c&#45;ed54da72012b</title>\n",
+       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"1231.3,-444.75 1185.72,-444.75 1174,-408.75 1219.58,-408.75 1231.3,-444.75\"/>\n",
+       "<text text-anchor=\"middle\" x=\"1202.65\" y=\"-424.02\" font-family=\"Times,serif\" font-size=\"8.00\">90.0</text>\n",
        "</g>\n",
-       "<!-- 214b9463&#45;2ec0&#45;435f&#45;ba9f&#45;ed3d870ac89a -->\n",
-       "<g id=\"node19\" class=\"node\">\n",
-       "<title>214b9463&#45;2ec0&#45;435f&#45;ba9f&#45;ed3d870ac89a</title>\n",
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-       "<text text-anchor=\"middle\" x=\"2421.65\" y=\"-424.02\" font-family=\"Times,serif\" font-size=\"8.00\">0.0</text>\n",
+       "<!-- sample_1_SimulationCellAngle&#45;&gt;0c3d07b6&#45;7f07&#45;4dc3&#45;9c3c&#45;ed54da72012b -->\n",
+       "<g id=\"edge17\" class=\"edge\">\n",
+       "<title>sample_1_SimulationCellAngle&#45;&gt;0c3d07b6&#45;7f07&#45;4dc3&#45;9c3c&#45;ed54da72012b</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M1171.81,-363.34C1180.09,-367.95 1187.77,-373.74 1193.65,-381 1197.42,-385.65 1199.75,-391.46 1201.16,-397.33\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"1197.65,-397.57 1202.64,-406.92 1204.57,-396.5 1197.65,-397.57\"/>\n",
+       "<text text-anchor=\"middle\" x=\"1242.02\" y=\"-383.15\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasAngle_alpha</text>\n",
        "</g>\n",
-       "<!-- SimulationCell_1Vector02&#45;&gt;214b9463&#45;2ec0&#45;435f&#45;ba9f&#45;ed3d870ac89a -->\n",
-       "<g id=\"edge11\" class=\"edge\">\n",
-       "<title>SimulationCell_1Vector02&#45;&gt;214b9463&#45;2ec0&#45;435f&#45;ba9f&#45;ed3d870ac89a</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M2367.69,-361.3C2379.21,-366.24 2390.53,-372.66 2399.65,-381 2404.93,-385.83 2409.1,-392.21 2412.32,-398.63\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"2409.43,-399.76 2416.62,-407.54 2415.85,-396.98 2409.43,-399.76\"/>\n",
-       "<text text-anchor=\"middle\" x=\"2451.65\" y=\"-383.15\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasComponent_x</text>\n",
+       "<!-- d271e2f1&#45;4276&#45;4ac1&#45;903a&#45;798170881751 -->\n",
+       "<g id=\"node48\" class=\"node\">\n",
+       "<title>d271e2f1&#45;4276&#45;4ac1&#45;903a&#45;798170881751</title>\n",
+       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"944.3,-444.75 898.72,-444.75 887,-408.75 932.58,-408.75 944.3,-444.75\"/>\n",
+       "<text text-anchor=\"middle\" x=\"915.65\" y=\"-424.02\" font-family=\"Times,serif\" font-size=\"8.00\">90.0</text>\n",
        "</g>\n",
-       "<!-- cmso.SimulationCellVector -->\n",
-       "<g id=\"node38\" class=\"node\">\n",
-       "<title>cmso.SimulationCellVector</title>\n",
-       "<polygon fill=\"#ffffcc\" stroke=\"#ffffcc\" points=\"1883.15,-444.75 1762.15,-444.75 1762.15,-408.75 1883.15,-408.75 1883.15,-444.75\"/>\n",
-       "<text text-anchor=\"middle\" x=\"1822.65\" y=\"-424.02\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.SimulationCellVector</text>\n",
+       "<!-- sample_1_SimulationCellAngle&#45;&gt;d271e2f1&#45;4276&#45;4ac1&#45;903a&#45;798170881751 -->\n",
+       "<g id=\"edge42\" class=\"edge\">\n",
+       "<title>sample_1_SimulationCellAngle&#45;&gt;d271e2f1&#45;4276&#45;4ac1&#45;903a&#45;798170881751</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M1043.95,-355.29C1018.6,-360.53 990.27,-368.61 966.4,-381 956.6,-386.09 947.15,-393.47 939.12,-400.78\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"936.89,-398.07 932.11,-407.52 941.74,-403.12 936.89,-398.07\"/>\n",
+       "<text text-anchor=\"middle\" x=\"1012.77\" y=\"-383.15\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasAngle_gamma</text>\n",
        "</g>\n",
-       "<!-- SimulationCell_1Vector02&#45;&gt;cmso.SimulationCellVector -->\n",
-       "<g id=\"edge48\" class=\"edge\">\n",
-       "<title>SimulationCell_1Vector02&#45;&gt;cmso.SimulationCellVector</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M2289.45,-363.46C2277.27,-373.4 2260.65,-384.98 2243.65,-390.75 2172.45,-414.9 1984.98,-398.75 1894.3,-408.71\"/>\n",
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-       "<text text-anchor=\"middle\" x=\"2271.27\" y=\"-383.15\" font-family=\"Times,serif\" font-size=\"8.00\">type</text>\n",
+       "<!-- 5e736582&#45;73f4&#45;490f&#45;81db&#45;07a3a9f069ca -->\n",
+       "<g id=\"node17\" class=\"node\">\n",
+       "<title>5e736582&#45;73f4&#45;490f&#45;81db&#45;07a3a9f069ca</title>\n",
+       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"1770.64,-444.75 1726.11,-444.75 1714.66,-408.75 1759.19,-408.75 1770.64,-444.75\"/>\n",
+       "<text text-anchor=\"middle\" x=\"1742.65\" y=\"-424.02\" font-family=\"Times,serif\" font-size=\"8.00\">0.0</text>\n",
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-       "<!-- df3dd6c8&#45;0e83&#45;429e&#45;8595&#45;06b96be86aba -->\n",
-       "<g id=\"node68\" class=\"node\">\n",
-       "<title>df3dd6c8&#45;0e83&#45;429e&#45;8595&#45;06b96be86aba</title>\n",
-       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"2563.3,-444.75 2517.72,-444.75 2506,-408.75 2551.58,-408.75 2563.3,-444.75\"/>\n",
-       "<text text-anchor=\"middle\" x=\"2534.65\" y=\"-424.02\" font-family=\"Times,serif\" font-size=\"8.00\">2.87</text>\n",
+       "<!-- sample_1_SimulationCellVector_2&#45;&gt;5e736582&#45;73f4&#45;490f&#45;81db&#45;07a3a9f069ca -->\n",
+       "<g id=\"edge10\" class=\"edge\">\n",
+       "<title>sample_1_SimulationCellVector_2&#45;&gt;5e736582&#45;73f4&#45;490f&#45;81db&#45;07a3a9f069ca</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M1711.68,-363.42C1714.57,-369.02 1717.76,-375.26 1720.65,-381 1723.47,-386.61 1726.46,-392.63 1729.29,-398.38\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"1725.94,-399.49 1733.49,-406.93 1732.22,-396.41 1725.94,-399.49\"/>\n",
+       "<text text-anchor=\"middle\" x=\"1770.65\" y=\"-383.15\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasComponent_z</text>\n",
        "</g>\n",
-       "<!-- SimulationCell_1Vector02&#45;&gt;df3dd6c8&#45;0e83&#45;429e&#45;8595&#45;06b96be86aba -->\n",
-       "<g id=\"edge72\" class=\"edge\">\n",
-       "<title>SimulationCell_1Vector02&#45;&gt;df3dd6c8&#45;0e83&#45;429e&#45;8595&#45;06b96be86aba</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M2368.05,-352.08C2415.97,-357.84 2478.85,-367.61 2500.65,-381 2508.13,-385.6 2514.56,-392.49 2519.74,-399.5\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"2517.15,-400.92 2525.63,-407.28 2522.96,-397.02 2517.15,-400.92\"/>\n",
-       "<text text-anchor=\"middle\" x=\"2556.65\" y=\"-383.15\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasComponent_y</text>\n",
+       "<!-- sample_1_SimulationCellVector_2&#45;&gt;cmso.SimulationCellVector -->\n",
+       "<g id=\"edge74\" class=\"edge\">\n",
+       "<title>sample_1_SimulationCellVector_2&#45;&gt;cmso.SimulationCellVector</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M1694.55,-363.49C1689.01,-373.3 1680.67,-384.75 1669.65,-390.75 1615.53,-420.22 1459.03,-401.06 1381.74,-408.73\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"1381.48,-405.23 1371.99,-409.95 1382.34,-412.18 1381.48,-405.23\"/>\n",
+       "<text text-anchor=\"middle\" x=\"1690.27\" y=\"-383.15\" font-family=\"Times,serif\" font-size=\"8.00\">type</text>\n",
        "</g>\n",
-       "<!-- 9f81ac46&#45;6b9c&#45;47c5&#45;bbba&#45;6899d7f4aacd -->\n",
-       "<g id=\"node74\" class=\"node\">\n",
-       "<title>9f81ac46&#45;6b9c&#45;47c5&#45;bbba&#45;6899d7f4aacd</title>\n",
-       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"2336.64,-444.75 2292.11,-444.75 2280.66,-408.75 2325.19,-408.75 2336.64,-444.75\"/>\n",
-       "<text text-anchor=\"middle\" x=\"2308.65\" y=\"-424.02\" font-family=\"Times,serif\" font-size=\"8.00\">0.0</text>\n",
+       "<!-- 2f4543ec&#45;e2d3&#45;4220&#45;a2db&#45;ed37e5a25cfb -->\n",
+       "<g id=\"node28\" class=\"node\">\n",
+       "<title>2f4543ec&#45;e2d3&#45;4220&#45;a2db&#45;ed37e5a25cfb</title>\n",
+       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"1884.3,-444.75 1838.72,-444.75 1827,-408.75 1872.58,-408.75 1884.3,-444.75\"/>\n",
+       "<text text-anchor=\"middle\" x=\"1855.65\" y=\"-424.02\" font-family=\"Times,serif\" font-size=\"8.00\">2.87</text>\n",
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-       "<!-- SimulationCell_1Vector02&#45;&gt;9f81ac46&#45;6b9c&#45;47c5&#45;bbba&#45;6899d7f4aacd -->\n",
-       "<g id=\"edge80\" class=\"edge\">\n",
-       "<title>SimulationCell_1Vector02&#45;&gt;9f81ac46&#45;6b9c&#45;47c5&#45;bbba&#45;6899d7f4aacd</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M2308.65,-363.3C2308.65,-373.34 2308.65,-386.21 2308.65,-397.66\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"2305.15,-397.48 2308.65,-407.48 2312.15,-397.48 2305.15,-397.48\"/>\n",
-       "<text text-anchor=\"middle\" x=\"2353.65\" y=\"-383.15\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasComponent_z</text>\n",
+       "<!-- sample_1_SimulationCellVector_2&#45;&gt;2f4543ec&#45;e2d3&#45;4220&#45;a2db&#45;ed37e5a25cfb -->\n",
+       "<g id=\"edge18\" class=\"edge\">\n",
+       "<title>sample_1_SimulationCellVector_2&#45;&gt;2f4543ec&#45;e2d3&#45;4220&#45;a2db&#45;ed37e5a25cfb</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M1776.85,-360.84C1791.77,-365.81 1806.81,-372.36 1819.65,-381 1826.82,-385.82 1833.26,-392.5 1838.64,-399.23\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"1835.65,-401.08 1844.4,-407.06 1841.29,-396.93 1835.65,-401.08\"/>\n",
+       "<text text-anchor=\"middle\" x=\"1875.65\" y=\"-383.15\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasComponent_y</text>\n",
        "</g>\n",
-       "<!-- CrystalStructure_1 -->\n",
-       "<g id=\"node21\" class=\"node\">\n",
-       "<title>CrystalStructure_1</title>\n",
-       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"1053.15,-199.5 962.15,-199.5 962.15,-163.5 1053.15,-163.5 1053.15,-199.5\"/>\n",
-       "<text text-anchor=\"middle\" x=\"1007.65\" y=\"-178.78\" font-family=\"Times,serif\" font-size=\"8.00\">CrystalStructure_1</text>\n",
+       "<!-- f94667ad&#45;d5bc&#45;4c64&#45;85f7&#45;a3bf82235471 -->\n",
+       "<g id=\"node40\" class=\"node\">\n",
+       "<title>f94667ad&#45;d5bc&#45;4c64&#45;85f7&#45;a3bf82235471</title>\n",
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-       "<!-- CrystalStructure_1&#45;&gt;UnitCell_1 -->\n",
-       "<g id=\"edge66\" class=\"edge\">\n",
-       "<title>CrystalStructure_1&#45;&gt;UnitCell_1</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M961.87,-188.11C840.31,-203 510.91,-243.35 396.47,-257.37\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"396.26,-253.99 386.76,-258.68 397.12,-260.94 396.26,-253.99\"/>\n",
-       "<text text-anchor=\"middle\" x=\"755.77\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasUnitCell</text>\n",
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+       "<g id=\"edge33\" class=\"edge\">\n",
+       "<title>sample_1_SimulationCellVector_2&#45;&gt;f94667ad&#45;d5bc&#45;4c64&#45;85f7&#45;a3bf82235471</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M1776.81,-361.47C1779.79,-362 1782.75,-362.52 1785.65,-363 1816.37,-368.13 1901,-360.73 1924.65,-381 1929.56,-385.21 1932.68,-391.16 1934.63,-397.35\"/>\n",
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+       "<text text-anchor=\"middle\" x=\"1975.65\" y=\"-383.15\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasComponent_x</text>\n",
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-       "<!-- 04f0a7c9&#45;360d&#45;4f55&#45;ba27&#45;02f5b56264a1 -->\n",
-       "<g id=\"node22\" class=\"node\">\n",
-       "<title>04f0a7c9&#45;360d&#45;4f55&#45;ba27&#45;02f5b56264a1</title>\n",
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-       "<text text-anchor=\"middle\" x=\"825.65\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">Im&#45;3M</text>\n",
+       "<!-- f8adeb57&#45;250e&#45;4682&#45;9e9a&#45;a604030dc986 -->\n",
+       "<g id=\"node20\" class=\"node\">\n",
+       "<title>f8adeb57&#45;250e&#45;4682&#45;9e9a&#45;a604030dc986</title>\n",
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+       "<text text-anchor=\"middle\" x=\"691.65\" y=\"-424.02\" font-family=\"Times,serif\" font-size=\"8.00\">0.0</text>\n",
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-       "<!-- CrystalStructure_1&#45;&gt;04f0a7c9&#45;360d&#45;4f55&#45;ba27&#45;02f5b56264a1 -->\n",
-       "<g id=\"edge13\" class=\"edge\">\n",
-       "<title>CrystalStructure_1&#45;&gt;04f0a7c9&#45;360d&#45;4f55&#45;ba27&#45;02f5b56264a1</title>\n",
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-       "<text text-anchor=\"middle\" x=\"914.02\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasSpaceGroupSymbol</text>\n",
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+       "<g id=\"edge12\" class=\"edge\">\n",
+       "<title>sample_1_SimulationCellVector_3&#45;&gt;f8adeb57&#45;250e&#45;4682&#45;9e9a&#45;a604030dc986</title>\n",
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-       "<!-- cmso.CrystalStructure -->\n",
-       "<g id=\"node24\" class=\"node\">\n",
-       "<title>cmso.CrystalStructure</title>\n",
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-       "<text text-anchor=\"middle\" x=\"947.65\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.CrystalStructure</text>\n",
+       "<!-- sample_1_SimulationCellVector_3&#45;&gt;cmso.SimulationCellVector -->\n",
+       "<g id=\"edge59\" class=\"edge\">\n",
+       "<title>sample_1_SimulationCellVector_3&#45;&gt;cmso.SimulationCellVector</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M849.91,-363.49C879.5,-374.63 915.5,-387.55 931.4,-390.75 1062.81,-417.22 1102.44,-389.72 1237.62,-408.49\"/>\n",
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-       "<!-- CrystalStructure_1&#45;&gt;cmso.CrystalStructure -->\n",
-       "<g id=\"edge15\" class=\"edge\">\n",
-       "<title>CrystalStructure_1&#45;&gt;cmso.CrystalStructure</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M994.63,-199.8C986.61,-210.46 976.18,-224.33 967.18,-236.29\"/>\n",
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+       "<g id=\"node37\" class=\"node\">\n",
+       "<title>eefe3da3&#45;a7f1&#45;4a22&#45;8a8a&#45;3c0180e364b3</title>\n",
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-       "<g id=\"node66\" class=\"node\">\n",
-       "<title>672985df&#45;64d6&#45;4b3d&#45;a717&#45;eccd0cc9342e</title>\n",
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-       "<text text-anchor=\"middle\" x=\"1045.65\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">Bcc</text>\n",
+       "<!-- sample_1_SimulationCellVector_3&#45;&gt;eefe3da3&#45;a7f1&#45;4a22&#45;8a8a&#45;3c0180e364b3 -->\n",
+       "<g id=\"edge30\" class=\"edge\">\n",
+       "<title>sample_1_SimulationCellVector_3&#45;&gt;eefe3da3&#45;a7f1&#45;4a22&#45;8a8a&#45;3c0180e364b3</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M804.65,-363.3C804.65,-373.23 804.65,-385.94 804.65,-397.3\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"801.15,-396.97 804.65,-406.97 808.15,-396.97 801.15,-396.97\"/>\n",
+       "<text text-anchor=\"middle\" x=\"849.65\" y=\"-383.15\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasComponent_z</text>\n",
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-       "<!-- CrystalStructure_1&#45;&gt;672985df&#45;64d6&#45;4b3d&#45;a717&#45;eccd0cc9342e -->\n",
-       "<g id=\"edge64\" class=\"edge\">\n",
-       "<title>CrystalStructure_1&#45;&gt;672985df&#45;64d6&#45;4b3d&#45;a717&#45;eccd0cc9342e</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M1015.9,-199.8C1020.82,-210.15 1027.2,-223.52 1032.78,-235.23\"/>\n",
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-       "<text text-anchor=\"middle\" x=\"1064.9\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasAltName</text>\n",
+       "<!-- 7d0775e1&#45;614b&#45;4732&#45;8ec1&#45;520e06a3e17a -->\n",
+       "<g id=\"node64\" class=\"node\">\n",
+       "<title>7d0775e1&#45;614b&#45;4732&#45;8ec1&#45;520e06a3e17a</title>\n",
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-       "<g id=\"node70\" class=\"node\">\n",
-       "<title>1f303f2b&#45;c1db&#45;4a07&#45;a239&#45;da93e3f8fcaa</title>\n",
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-       "<text text-anchor=\"middle\" x=\"1129.65\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">229</text>\n",
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+       "<g id=\"edge60\" class=\"edge\">\n",
+       "<title>sample_1_SimulationCellVector_3&#45;&gt;7d0775e1&#45;614b&#45;4732&#45;8ec1&#45;520e06a3e17a</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M730.34,-349.67C681.97,-353.8 625.1,-362.53 609.65,-381 605.82,-385.57 604.95,-391.35 605.63,-397.21\"/>\n",
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+       "<text text-anchor=\"middle\" x=\"654.65\" y=\"-383.15\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasComponent_y</text>\n",
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-       "<!-- CrystalStructure_1&#45;&gt;1f303f2b&#45;c1db&#45;4a07&#45;a239&#45;da93e3f8fcaa -->\n",
-       "<g id=\"edge74\" class=\"edge\">\n",
-       "<title>CrystalStructure_1&#45;&gt;1f303f2b&#45;c1db&#45;4a07&#45;a239&#45;da93e3f8fcaa</title>\n",
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-       "<text text-anchor=\"middle\" x=\"1171.9\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasSpaceGroupNumber</text>\n",
+       "<!-- CHEBI.18248 -->\n",
+       "<g id=\"node21\" class=\"node\">\n",
+       "<title>CHEBI.18248</title>\n",
+       "<polygon fill=\"#ffffcc\" stroke=\"#ffffcc\" points=\"4005.77,-199.5 3933.52,-199.5 3933.52,-163.5 4005.77,-163.5 4005.77,-199.5\"/>\n",
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        "</g>\n",
-       "<!-- SimulationCell_1&#45;&gt;SimulationCell_1Length -->\n",
-       "<g id=\"edge54\" class=\"edge\">\n",
-       "<title>SimulationCell_1&#45;&gt;SimulationCell_1Length</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M1461.82,-281.67C1451.6,-286.88 1440.73,-292.91 1431.15,-299.25 1422.01,-305.3 1412.64,-312.67 1404.35,-319.67\"/>\n",
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-       "<text text-anchor=\"middle\" x=\"1463.9\" y=\"-301.4\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasLength</text>\n",
+       "<!-- db69df96&#45;34bd&#45;4cb0&#45;bcc4&#45;af8b4a2f8afd -->\n",
+       "<g id=\"node22\" class=\"node\">\n",
+       "<title>db69df96&#45;34bd&#45;4cb0&#45;bcc4&#45;af8b4a2f8afd</title>\n",
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+       "<text text-anchor=\"middle\" x=\"3881.65\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">Fe</text>\n",
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-       "<!-- SimulationCell_1&#45;&gt;SimulationCell_1Angle -->\n",
-       "<g id=\"edge20\" class=\"edge\">\n",
-       "<title>SimulationCell_1&#45;&gt;SimulationCell_1Angle</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M1458.39,-270.31C1364.26,-284.13 1133.11,-318.08 1020.45,-334.63\"/>\n",
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-       "<text text-anchor=\"middle\" x=\"1291.27\" y=\"-301.4\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasAngle</text>\n",
+       "<!-- CHEBI.18248&#45;&gt;db69df96&#45;34bd&#45;4cb0&#45;bcc4&#45;af8b4a2f8afd -->\n",
+       "<g id=\"edge13\" class=\"edge\">\n",
+       "<title>CHEBI.18248&#45;&gt;db69df96&#45;34bd&#45;4cb0&#45;bcc4&#45;af8b4a2f8afd</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M3933.07,-198.2C3919.19,-204.72 3905.49,-212.03 3900.4,-217.5 3895.95,-222.28 3892.48,-228.26 3889.8,-234.29\"/>\n",
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+       "<text text-anchor=\"middle\" x=\"3932.27\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasSymbol</text>\n",
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-       "<!-- SimulationCell_1&#45;&gt;SimulationCell_1Vector02 -->\n",
-       "<g id=\"edge60\" class=\"edge\">\n",
-       "<title>SimulationCell_1&#45;&gt;SimulationCell_1Vector02</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M1540.9,-279.15C1543.84,-279.94 1546.78,-280.65 1549.65,-281.25 1550.18,-281.36 2050.82,-322.71 2238.61,-338.22\"/>\n",
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-       "<text text-anchor=\"middle\" x=\"1915.4\" y=\"-301.4\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasVector</text>\n",
+       "<!-- cmso.Element -->\n",
+       "<g id=\"node58\" class=\"node\">\n",
+       "<title>cmso.Element</title>\n",
+       "<polygon fill=\"#ffffcc\" stroke=\"#ffffcc\" points=\"4005.4,-281.25 3933.9,-281.25 3933.9,-245.25 4005.4,-245.25 4005.4,-281.25\"/>\n",
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-       "<!-- cmso.SimulationCell -->\n",
-       "<g id=\"node29\" class=\"node\">\n",
-       "<title>cmso.SimulationCell</title>\n",
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-       "<text text-anchor=\"middle\" x=\"1256.65\" y=\"-342.27\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.SimulationCell</text>\n",
+       "<!-- CHEBI.18248&#45;&gt;cmso.Element -->\n",
+       "<g id=\"edge52\" class=\"edge\">\n",
+       "<title>CHEBI.18248&#45;&gt;cmso.Element</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M3969.65,-199.8C3969.65,-209.73 3969.65,-222.44 3969.65,-233.8\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"3966.15,-233.47 3969.65,-243.47 3973.15,-233.47 3966.15,-233.47\"/>\n",
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-       "<!-- SimulationCell_1&#45;&gt;cmso.SimulationCell -->\n",
-       "<g id=\"edge19\" class=\"edge\">\n",
-       "<title>SimulationCell_1&#45;&gt;cmso.SimulationCell</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M1458.15,-277.87C1418.75,-290.8 1359.13,-310.37 1314.96,-324.86\"/>\n",
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+       "<!-- a89f734c&#45;c48c&#45;4df6&#45;8916&#45;306d866c00fa -->\n",
+       "<g id=\"node61\" class=\"node\">\n",
+       "<title>a89f734c&#45;c48c&#45;4df6&#45;8916&#45;306d866c00fa</title>\n",
+       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"4079.64,-281.25 4035.11,-281.25 4023.66,-245.25 4068.19,-245.25 4079.64,-281.25\"/>\n",
+       "<text text-anchor=\"middle\" x=\"4051.65\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">1.0</text>\n",
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-       "<!-- SimulationCell_1Vector03 -->\n",
-       "<g id=\"node39\" class=\"node\">\n",
-       "<title>SimulationCell_1Vector03</title>\n",
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-       "<text text-anchor=\"middle\" x=\"1622.65\" y=\"-342.27\" font-family=\"Times,serif\" font-size=\"8.00\">SimulationCell_1Vector03</text>\n",
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+       "<g id=\"edge56\" class=\"edge\">\n",
+       "<title>CHEBI.18248&#45;&gt;a89f734c&#45;c48c&#45;4df6&#45;8916&#45;306d866c00fa</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M3987.44,-199.8C3998.62,-210.67 4013.22,-224.88 4025.68,-236.99\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"4023.2,-239.46 4032.81,-243.92 4028.08,-234.44 4023.2,-239.46\"/>\n",
+       "<text text-anchor=\"middle\" x=\"4059.27\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasElementRatio</text>\n",
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-       "<!-- SimulationCell_1&#45;&gt;SimulationCell_1Vector03 -->\n",
-       "<g id=\"edge70\" class=\"edge\">\n",
-       "<title>SimulationCell_1&#45;&gt;SimulationCell_1Vector03</title>\n",
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-       "<g id=\"edge34\" class=\"edge\">\n",
-       "<title>SimulationCell_1&#45;&gt;dd8f58e1&#45;648c&#45;4d3f&#45;9564&#45;0fcc4584fcfc</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M1499.65,-281.55C1499.65,-291.59 1499.65,-304.46 1499.65,-315.91\"/>\n",
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-       "<text text-anchor=\"middle\" x=\"1532.27\" y=\"-301.4\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasVolume</text>\n",
-       "</g>\n",
-       "<!-- SimulationCell_1Vector01 -->\n",
+       "<!-- cmso.Angle -->\n",
        "<g id=\"node53\" class=\"node\">\n",
-       "<title>SimulationCell_1Vector01</title>\n",
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-       "<!-- SimulationCell_1&#45;&gt;SimulationCell_1Vector01 -->\n",
-       "<g id=\"edge44\" class=\"edge\">\n",
-       "<title>SimulationCell_1&#45;&gt;SimulationCell_1Vector01</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M1540.96,-278.88C1543.89,-279.74 1546.8,-280.54 1549.65,-281.25 1579.1,-288.64 1758.05,-317.13 1859.53,-333.06\"/>\n",
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-       "<text text-anchor=\"middle\" x=\"1732.4\" y=\"-301.4\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasVector</text>\n",
+       "<title>cmso.Angle</title>\n",
+       "<polygon fill=\"#ffffcc\" stroke=\"#ffffcc\" points=\"1683.52,-526.5 1621.77,-526.5 1621.77,-490.5 1683.52,-490.5 1683.52,-526.5\"/>\n",
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-       "<!-- cmso.LatticeVector -->\n",
-       "<g id=\"node25\" class=\"node\">\n",
-       "<title>cmso.LatticeVector</title>\n",
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-       "<text text-anchor=\"middle\" x=\"2021.65\" y=\"-424.02\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.LatticeVector</text>\n",
+       "<!-- cmso.SimulationCellAngle&#45;&gt;cmso.Angle -->\n",
+       "<g id=\"edge75\" class=\"edge\">\n",
+       "<title>cmso.SimulationCellAngle&#45;&gt;cmso.Angle</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M1075.95,-445.19C1108.03,-454.79 1149.65,-466.04 1187.4,-472.5 1341.5,-498.86 1527.69,-505.37 1610,-506.97\"/>\n",
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+       "<text text-anchor=\"middle\" x=\"1209.77\" y=\"-464.9\" font-family=\"Times,serif\" font-size=\"8.00\">subClassOf</text>\n",
        "</g>\n",
        "<!-- cmso.Vector -->\n",
-       "<g id=\"node26\" class=\"node\">\n",
+       "<g id=\"node25\" class=\"node\">\n",
        "<title>cmso.Vector</title>\n",
-       "<polygon fill=\"#ffffcc\" stroke=\"#ffffcc\" points=\"2003.65,-526.5 1939.65,-526.5 1939.65,-490.5 2003.65,-490.5 2003.65,-526.5\"/>\n",
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+       "<text text-anchor=\"middle\" x=\"328.65\" y=\"-505.77\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.Vector</text>\n",
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-       "<!-- cmso.LatticeVector&#45;&gt;cmso.Vector -->\n",
-       "<g id=\"edge16\" class=\"edge\">\n",
-       "<title>cmso.LatticeVector&#45;&gt;cmso.Vector</title>\n",
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+       "<!-- cmso.SimulationCellVector&#45;&gt;cmso.Vector -->\n",
+       "<g id=\"edge15\" class=\"edge\">\n",
+       "<title>cmso.SimulationCellVector&#45;&gt;cmso.Vector</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M1286.45,-445.18C1271.62,-455.24 1251.5,-466.96 1231.65,-472.5 1149.76,-495.36 551.45,-484.29 466.65,-490.5 434.84,-492.83 399.11,-497.28 371.97,-501.05\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"371.82,-497.53 362.4,-502.4 372.8,-504.46 371.82,-497.53\"/>\n",
+       "<text text-anchor=\"middle\" x=\"1276.77\" y=\"-464.9\" font-family=\"Times,serif\" font-size=\"8.00\">subClassOf</text>\n",
        "</g>\n",
-       "<!-- cmso.Vector&#45;&gt;ANGSTROM -->\n",
-       "<g id=\"edge24\" class=\"edge\">\n",
-       "<title>cmso.Vector&#45;&gt;ANGSTROM</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M1939.35,-515.89C1867.66,-530.08 1695.1,-564.23 1613.22,-580.43\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"1612.65,-577.17 1603.52,-582.55 1614.01,-584.04 1612.65,-577.17\"/>\n",
-       "<text text-anchor=\"middle\" x=\"1821.27\" y=\"-546.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasUnit</text>\n",
+       "<!-- unit.ANGSTROM -->\n",
+       "<g id=\"node65\" class=\"node\">\n",
+       "<title>unit.ANGSTROM</title>\n",
+       "<polygon fill=\"#ffffcc\" stroke=\"#ffffcc\" points=\"509.15,-608.25 424.15,-608.25 424.15,-572.25 509.15,-572.25 509.15,-608.25\"/>\n",
+       "<text text-anchor=\"middle\" x=\"466.65\" y=\"-587.52\" font-family=\"Times,serif\" font-size=\"8.00\">unit.ANGSTROM</text>\n",
        "</g>\n",
-       "<!-- Material_1&#45;&gt;CrystalStructure_1 -->\n",
-       "<g id=\"edge32\" class=\"edge\">\n",
-       "<title>Material_1&#45;&gt;CrystalStructure_1</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M1273.29,-108.69C1224.59,-121.85 1126.3,-148.42 1063.9,-165.29\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"1063.19,-162.13 1054.45,-168.12 1065.01,-168.89 1063.19,-162.13\"/>\n",
-       "<text text-anchor=\"middle\" x=\"1210.77\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasStructure</text>\n",
+       "<!-- cmso.Vector&#45;&gt;unit.ANGSTROM -->\n",
+       "<g id=\"edge63\" class=\"edge\">\n",
+       "<title>cmso.Vector&#45;&gt;unit.ANGSTROM</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M358.59,-526.8C378.58,-538.35 405.08,-553.67 426.83,-566.24\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"425.04,-569.25 435.45,-571.22 428.55,-563.19 425.04,-569.25\"/>\n",
+       "<text text-anchor=\"middle\" x=\"433.27\" y=\"-546.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasUnit</text>\n",
        "</g>\n",
-       "<!-- cmso.CrystallineMaterial -->\n",
+       "<!-- cmso.Length -->\n",
        "<g id=\"node30\" class=\"node\">\n",
-       "<title>cmso.CrystallineMaterial</title>\n",
-       "<polygon fill=\"#ffffcc\" stroke=\"#ffffcc\" points=\"1302.4,-199.5 1188.9,-199.5 1188.9,-163.5 1302.4,-163.5 1302.4,-199.5\"/>\n",
-       "<text text-anchor=\"middle\" x=\"1245.65\" y=\"-178.78\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.CrystallineMaterial</text>\n",
-       "</g>\n",
-       "<!-- Material_1&#45;&gt;cmso.CrystallineMaterial -->\n",
-       "<g id=\"edge21\" class=\"edge\">\n",
-       "<title>Material_1&#45;&gt;cmso.CrystallineMaterial</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M1290.28,-118.05C1282.66,-128.71 1272.75,-142.58 1264.2,-154.54\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"1260.96,-152.06 1257.99,-162.23 1266.66,-156.13 1260.96,-152.06\"/>\n",
-       "<text text-anchor=\"middle\" x=\"1286.27\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">type</text>\n",
-       "</g>\n",
-       "<!-- c48517cc&#45;088e&#45;4fa7&#45;b4d1&#45;5e4f8257a210 -->\n",
-       "<g id=\"node42\" class=\"node\">\n",
-       "<title>c48517cc&#45;088e&#45;4fa7&#45;b4d1&#45;5e4f8257a210</title>\n",
-       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"1396.78,-199.5 1336.12,-199.5 1320.52,-163.5 1381.18,-163.5 1396.78,-199.5\"/>\n",
-       "<text text-anchor=\"middle\" x=\"1358.65\" y=\"-178.78\" font-family=\"Times,serif\" font-size=\"8.00\">Fe=1.0</text>\n",
+       "<title>cmso.Length</title>\n",
+       "<polygon fill=\"#ffffcc\" stroke=\"#ffffcc\" points=\"543.15,-526.5 476.15,-526.5 476.15,-490.5 543.15,-490.5 543.15,-526.5\"/>\n",
+       "<text text-anchor=\"middle\" x=\"509.65\" y=\"-505.77\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.Length</text>\n",
        "</g>\n",
-       "<!-- Material_1&#45;&gt;c48517cc&#45;088e&#45;4fa7&#45;b4d1&#45;5e4f8257a210 -->\n",
+       "<!-- cmso.LatticeParameter&#45;&gt;cmso.Length -->\n",
        "<g id=\"edge31\" class=\"edge\">\n",
-       "<title>Material_1&#45;&gt;c48517cc&#45;088e&#45;4fa7&#45;b4d1&#45;5e4f8257a210</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M1314.8,-118.05C1322.29,-128.71 1332.02,-142.58 1340.42,-154.54\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"1337.91,-156.06 1346.52,-162.23 1343.64,-152.03 1337.91,-156.06\"/>\n",
-       "<text text-anchor=\"middle\" x=\"1379.27\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasElementRatio</text>\n",
-       "</g>\n",
-       "<!-- Atom_1_1&#45;&gt;Atom_1_1_Position -->\n",
-       "<g id=\"edge22\" class=\"edge\">\n",
-       "<title>Atom_1_1&#45;&gt;Atom_1_1_Position</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M1943.74,-102.23C1890.36,-105.52 1776.18,-114.83 1743.4,-135.75 1736.37,-140.24 1730.62,-147.04 1726.12,-154.01\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"1722.68,-151.97 1720.75,-162.39 1728.75,-155.45 1722.68,-151.97\"/>\n",
-       "<text text-anchor=\"middle\" x=\"1789.77\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasPositionVector</text>\n",
-       "</g>\n",
-       "<!-- Atom_1_1&#45;&gt;cmso.Atom -->\n",
-       "<g id=\"edge27\" class=\"edge\">\n",
-       "<title>Atom_1_1&#45;&gt;cmso.Atom</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M1999.42,-109.9C2013.41,-115.6 2029.86,-124.09 2041.65,-135.75 2046.7,-140.75 2050.87,-147.09 2054.2,-153.42\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"2051.35,-154.58 2058.75,-162.15 2057.69,-151.61 2051.35,-154.58\"/>\n",
-       "<text text-anchor=\"middle\" x=\"2057.27\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">type</text>\n",
+       "<title>cmso.LatticeParameter&#45;&gt;cmso.Length</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M1983.04,-443.24C1980.22,-443.81 1977.41,-444.32 1974.65,-444.75 1691.08,-489.12 770.47,-504.01 555.04,-506.93\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"555.05,-503.43 545.1,-507.06 555.15,-510.43 555.05,-503.43\"/>\n",
+       "<text text-anchor=\"middle\" x=\"1818.77\" y=\"-464.9\" font-family=\"Times,serif\" font-size=\"8.00\">subClassOf</text>\n",
        "</g>\n",
-       "<!-- Atom_1_1_Element -->\n",
-       "<g id=\"node51\" class=\"node\">\n",
-       "<title>Atom_1_1_Element</title>\n",
-       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"2016.52,-199.5 1924.77,-199.5 1924.77,-163.5 2016.52,-163.5 2016.52,-199.5\"/>\n",
-       "<text text-anchor=\"middle\" x=\"1970.65\" y=\"-178.78\" font-family=\"Times,serif\" font-size=\"8.00\">Atom_1_1_Element</text>\n",
+       "<!-- cmso.SimulationCellLength -->\n",
+       "<g id=\"node29\" class=\"node\">\n",
+       "<title>cmso.SimulationCellLength</title>\n",
+       "<polygon fill=\"#ffffcc\" stroke=\"#ffffcc\" points=\"571.65,-444.75 447.65,-444.75 447.65,-408.75 571.65,-408.75 571.65,-444.75\"/>\n",
+       "<text text-anchor=\"middle\" x=\"509.65\" y=\"-424.02\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.SimulationCellLength</text>\n",
        "</g>\n",
-       "<!-- Atom_1_1&#45;&gt;Atom_1_1_Element -->\n",
-       "<g id=\"edge65\" class=\"edge\">\n",
-       "<title>Atom_1_1&#45;&gt;Atom_1_1_Element</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M1971.43,-118.05C1971.31,-128.09 1971.15,-140.96 1971,-152.41\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"1967.49,-152.19 1970.87,-162.23 1974.49,-152.27 1967.49,-152.19\"/>\n",
-       "<text text-anchor=\"middle\" x=\"2005.15\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasElement</text>\n",
+       "<!-- cmso.SimulationCellLength&#45;&gt;cmso.Length -->\n",
+       "<g id=\"edge20\" class=\"edge\">\n",
+       "<title>cmso.SimulationCellLength&#45;&gt;cmso.Length</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M509.65,-445.05C509.65,-454.98 509.65,-467.69 509.65,-479.05\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"506.15,-478.72 509.65,-488.72 513.15,-478.72 506.15,-478.72\"/>\n",
+       "<text text-anchor=\"middle\" x=\"531.77\" y=\"-464.9\" font-family=\"Times,serif\" font-size=\"8.00\">subClassOf</text>\n",
        "</g>\n",
-       "<!-- 42d847be&#45;315f&#45;4666&#45;9905&#45;f03941baa592 -->\n",
-       "<g id=\"node69\" class=\"node\">\n",
-       "<title>42d847be&#45;315f&#45;4666&#45;9905&#45;f03941baa592</title>\n",
-       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"1856.64,-199.5 1812.11,-199.5 1800.66,-163.5 1845.19,-163.5 1856.64,-199.5\"/>\n",
-       "<text text-anchor=\"middle\" x=\"1828.65\" y=\"-178.78\" font-family=\"Times,serif\" font-size=\"8.00\">14</text>\n",
+       "<!-- cmso.Length&#45;&gt;unit.ANGSTROM -->\n",
+       "<g id=\"edge70\" class=\"edge\">\n",
+       "<title>cmso.Length&#45;&gt;unit.ANGSTROM</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M500.32,-526.8C494.8,-537.05 487.68,-550.25 481.41,-561.88\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"478.35,-560.18 476.68,-570.65 484.51,-563.51 478.35,-560.18\"/>\n",
+       "<text text-anchor=\"middle\" x=\"518.27\" y=\"-546.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasUnit</text>\n",
        "</g>\n",
-       "<!-- Atom_1_1&#45;&gt;42d847be&#45;315f&#45;4666&#45;9905&#45;f03941baa592 -->\n",
-       "<g id=\"edge73\" class=\"edge\">\n",
-       "<title>Atom_1_1&#45;&gt;42d847be&#45;315f&#45;4666&#45;9905&#45;f03941baa592</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M1943.69,-101.65C1915.88,-103.98 1873.59,-111.61 1846.65,-135.75 1841.49,-140.37 1837.79,-146.68 1835.14,-153.09\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"1831.66,-151.45 1831.78,-162.05 1838.29,-153.69 1831.66,-151.45\"/>\n",
-       "<text text-anchor=\"middle\" x=\"1906.65\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasCoordinationNumber</text>\n",
+       "<!-- 5c11e7d5&#45;0de9&#45;404e&#45;9e22&#45;1ea81bd40e25 -->\n",
+       "<g id=\"node50\" class=\"node\">\n",
+       "<title>5c11e7d5&#45;0de9&#45;404e&#45;9e22&#45;1ea81bd40e25</title>\n",
+       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"2438.3,-444.75 2392.72,-444.75 2381,-408.75 2426.58,-408.75 2438.3,-444.75\"/>\n",
+       "<text text-anchor=\"middle\" x=\"2409.65\" y=\"-424.02\" font-family=\"Times,serif\" font-size=\"8.00\">90.0</text>\n",
        "</g>\n",
-       "<!-- 317bafd2&#45;3165&#45;45a1&#45;af23&#45;133b50e3e43a -->\n",
-       "<g id=\"node36\" class=\"node\">\n",
-       "<title>317bafd2&#45;3165&#45;45a1&#45;af23&#45;133b50e3e43a</title>\n",
-       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"2260.64,-281.25 2216.11,-281.25 2204.66,-245.25 2249.19,-245.25 2260.64,-281.25\"/>\n",
-       "<text text-anchor=\"middle\" x=\"2232.65\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">0.0</text>\n",
+       "<!-- sample_1_LatticeAngle&#45;&gt;5c11e7d5&#45;0de9&#45;404e&#45;9e22&#45;1ea81bd40e25 -->\n",
+       "<g id=\"edge44\" class=\"edge\">\n",
+       "<title>sample_1_LatticeAngle&#45;&gt;5c11e7d5&#45;0de9&#45;404e&#45;9e22&#45;1ea81bd40e25</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M2427.29,-363.33C2420.75,-368.12 2414.79,-373.98 2410.9,-381 2408.17,-385.92 2406.88,-391.64 2406.44,-397.31\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"2402.94,-397.13 2406.53,-407.1 2409.94,-397.08 2402.94,-397.13\"/>\n",
+       "<text text-anchor=\"middle\" x=\"2453.02\" y=\"-383.15\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasAngle_alpha</text>\n",
        "</g>\n",
-       "<!-- Atom_1_0_Position&#45;&gt;317bafd2&#45;3165&#45;45a1&#45;af23&#45;133b50e3e43a -->\n",
-       "<g id=\"edge26\" class=\"edge\">\n",
-       "<title>Atom_1_0_Position&#45;&gt;317bafd2&#45;3165&#45;45a1&#45;af23&#45;133b50e3e43a</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M2151.77,-199.91C2149.89,-208.76 2149.46,-219.3 2154.65,-227.25 2164.13,-241.76 2174.43,-238.46 2195.5,-245.74\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"2194.01,-249.31 2204.6,-249.76 2196.6,-242.81 2194.01,-249.31\"/>\n",
-       "<text text-anchor=\"middle\" x=\"2199.65\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasComponent_y</text>\n",
+       "<!-- 0db7be35&#45;6292&#45;46ba&#45;b485&#45;494329ce5fb9 -->\n",
+       "<g id=\"node51\" class=\"node\">\n",
+       "<title>0db7be35&#45;6292&#45;46ba&#45;b485&#45;494329ce5fb9</title>\n",
+       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"2546.3,-444.75 2500.72,-444.75 2489,-408.75 2534.58,-408.75 2546.3,-444.75\"/>\n",
+       "<text text-anchor=\"middle\" x=\"2517.65\" y=\"-424.02\" font-family=\"Times,serif\" font-size=\"8.00\">90.0</text>\n",
        "</g>\n",
-       "<!-- Atom_1_0_Position&#45;&gt;cmso.PositionVector -->\n",
-       "<g id=\"edge68\" class=\"edge\">\n",
-       "<title>Atom_1_0_Position&#45;&gt;cmso.PositionVector</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M2112.65,-197.12C2094.87,-203.59 2077.09,-211.15 2070.4,-217.5 2065.26,-222.37 2061.28,-228.77 2058.24,-235.19\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"2054.74,-233.51 2054.21,-244.1 2061.22,-236.15 2054.74,-233.51\"/>\n",
-       "<text text-anchor=\"middle\" x=\"2078.27\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">type</text>\n",
+       "<!-- sample_1_LatticeAngle&#45;&gt;0db7be35&#45;6292&#45;46ba&#45;b485&#45;494329ce5fb9 -->\n",
+       "<g id=\"edge45\" class=\"edge\">\n",
+       "<title>sample_1_LatticeAngle&#45;&gt;0db7be35&#45;6292&#45;46ba&#45;b485&#45;494329ce5fb9</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M2481.3,-363.34C2486.28,-368.74 2491.47,-374.88 2495.65,-381 2499.31,-386.36 2502.71,-392.42 2505.7,-398.32\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"2502.46,-399.66 2509.93,-407.18 2508.78,-396.65 2502.46,-399.66\"/>\n",
+       "<text text-anchor=\"middle\" x=\"2540.77\" y=\"-383.15\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasAngle_beta</text>\n",
        "</g>\n",
-       "<!-- 93208c86&#45;8b40&#45;4166&#45;9c25&#45;9f3cd273cf74 -->\n",
-       "<g id=\"node64\" class=\"node\">\n",
-       "<title>93208c86&#45;8b40&#45;4166&#45;9c25&#45;9f3cd273cf74</title>\n",
-       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"2334.64,-281.25 2290.11,-281.25 2278.66,-245.25 2323.19,-245.25 2334.64,-281.25\"/>\n",
-       "<text text-anchor=\"middle\" x=\"2306.65\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">0.0</text>\n",
+       "<!-- cmso.LatticeAngle -->\n",
+       "<g id=\"node52\" class=\"node\">\n",
+       "<title>cmso.LatticeAngle</title>\n",
+       "<polygon fill=\"#ffffcc\" stroke=\"#ffffcc\" points=\"2653.02,-444.75 2564.27,-444.75 2564.27,-408.75 2653.02,-408.75 2653.02,-444.75\"/>\n",
+       "<text text-anchor=\"middle\" x=\"2608.65\" y=\"-424.02\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.LatticeAngle</text>\n",
        "</g>\n",
-       "<!-- Atom_1_0_Position&#45;&gt;93208c86&#45;8b40&#45;4166&#45;9c25&#45;9f3cd273cf74 -->\n",
-       "<g id=\"edge61\" class=\"edge\">\n",
-       "<title>Atom_1_0_Position&#45;&gt;93208c86&#45;8b40&#45;4166&#45;9c25&#45;9f3cd273cf74</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M2202.71,-196.75C2205.73,-197.69 2208.74,-198.61 2211.65,-199.5 2238.69,-207.74 2249.38,-201.45 2272.65,-217.5 2279.61,-222.3 2285.75,-228.98 2290.83,-235.71\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"2288.52,-237.51 2297.08,-243.75 2294.27,-233.54 2288.52,-237.51\"/>\n",
-       "<text text-anchor=\"middle\" x=\"2327.65\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasComponent_z</text>\n",
+       "<!-- sample_1_LatticeAngle&#45;&gt;cmso.LatticeAngle -->\n",
+       "<g id=\"edge46\" class=\"edge\">\n",
+       "<title>sample_1_LatticeAngle&#45;&gt;cmso.LatticeAngle</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M2517.27,-360.51C2548.29,-369.07 2581.78,-378.68 2584.65,-381 2590.32,-385.58 2594.83,-391.88 2598.34,-398.29\"/>\n",
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+       "<text text-anchor=\"middle\" x=\"2601.27\" y=\"-383.15\" font-family=\"Times,serif\" font-size=\"8.00\">type</text>\n",
        "</g>\n",
-       "<!-- 19842b93&#45;6769&#45;479e&#45;afb3&#45;9e665fa3cc74 -->\n",
-       "<g id=\"node67\" class=\"node\">\n",
-       "<title>19842b93&#45;6769&#45;479e&#45;afb3&#45;9e665fa3cc74</title>\n",
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-       "<text text-anchor=\"middle\" x=\"2419.65\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">0.0</text>\n",
+       "<!-- bda68832&#45;2ec5&#45;4f5a&#45;b7ca&#45;6ff84f8673b5 -->\n",
+       "<g id=\"node66\" class=\"node\">\n",
+       "<title>bda68832&#45;2ec5&#45;4f5a&#45;b7ca&#45;6ff84f8673b5</title>\n",
+       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"2728.3,-444.75 2682.72,-444.75 2671,-408.75 2716.58,-408.75 2728.3,-444.75\"/>\n",
+       "<text text-anchor=\"middle\" x=\"2699.65\" y=\"-424.02\" font-family=\"Times,serif\" font-size=\"8.00\">90.0</text>\n",
        "</g>\n",
-       "<!-- Atom_1_0_Position&#45;&gt;19842b93&#45;6769&#45;479e&#45;afb3&#45;9e665fa3cc74 -->\n",
-       "<g id=\"edge71\" class=\"edge\">\n",
-       "<title>Atom_1_0_Position&#45;&gt;19842b93&#45;6769&#45;479e&#45;afb3&#45;9e665fa3cc74</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M2202.85,-197.44C2205.81,-198.2 2208.76,-198.89 2211.65,-199.5 2283.85,-214.65 2310.45,-184.95 2376.65,-217.5 2385.88,-222.04 2394.21,-229.42 2401.02,-236.88\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"2398.66,-238.51 2407.79,-243.89 2404.01,-233.99 2398.66,-238.51\"/>\n",
-       "<text text-anchor=\"middle\" x=\"2434.65\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasComponent_x</text>\n",
+       "<!-- sample_1_LatticeAngle&#45;&gt;bda68832&#45;2ec5&#45;4f5a&#45;b7ca&#45;6ff84f8673b5 -->\n",
+       "<g id=\"edge64\" class=\"edge\">\n",
+       "<title>sample_1_LatticeAngle&#45;&gt;bda68832&#45;2ec5&#45;4f5a&#45;b7ca&#45;6ff84f8673b5</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M2517.21,-360.69C2520.4,-361.49 2523.56,-362.27 2526.65,-363 2565.06,-372.15 2576.45,-367.76 2613.65,-381 2629.88,-386.78 2646.89,-395.09 2661.45,-402.99\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"2659.33,-405.82 2669.78,-407.62 2662.74,-399.7 2659.33,-405.82\"/>\n",
+       "<text text-anchor=\"middle\" x=\"2681.77\" y=\"-383.15\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasAngle_gamma</text>\n",
        "</g>\n",
-       "<!-- cmso.SimulationCellVector&#45;&gt;cmso.Vector -->\n",
-       "<g id=\"edge28\" class=\"edge\">\n",
-       "<title>cmso.SimulationCellVector&#45;&gt;cmso.Vector</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M1854.98,-445.05C1876.95,-456.81 1906.2,-472.47 1929.93,-485.17\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"1927.91,-488.6 1938.38,-490.23 1931.22,-482.42 1927.91,-488.6\"/>\n",
-       "<text text-anchor=\"middle\" x=\"1928.77\" y=\"-464.9\" font-family=\"Times,serif\" font-size=\"8.00\">subClassOf</text>\n",
+       "<!-- sample_1_SimulationCellLength&#45;&gt;cmso.SimulationCellLength -->\n",
+       "<g id=\"edge37\" class=\"edge\">\n",
+       "<title>sample_1_SimulationCellLength&#45;&gt;cmso.SimulationCellLength</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M460.21,-363.31C469.34,-368.1 478.33,-373.97 485.65,-381 490.7,-385.85 494.93,-392 498.35,-398.18\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"495.15,-399.59 502.71,-407.01 501.43,-396.49 495.15,-399.59\"/>\n",
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        "</g>\n",
-       "<!-- SimulationCell_1Vector03&#45;&gt;cmso.SimulationCellVector -->\n",
-       "<g id=\"edge57\" class=\"edge\">\n",
-       "<title>SimulationCell_1Vector03&#45;&gt;cmso.SimulationCellVector</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M1681.67,-349.84C1730.33,-354.24 1794.23,-363.26 1812.65,-381 1817.35,-385.53 1820.07,-391.75 1821.59,-398.11\"/>\n",
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-       "<text text-anchor=\"middle\" x=\"1828.27\" y=\"-383.15\" font-family=\"Times,serif\" font-size=\"8.00\">type</text>\n",
+       "<!-- e2e97c10&#45;71ad&#45;4145&#45;8a78&#45;5d2deedd6239 -->\n",
+       "<g id=\"node39\" class=\"node\">\n",
+       "<title>e2e97c10&#45;71ad&#45;4145&#45;8a78&#45;5d2deedd6239</title>\n",
+       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"57.3,-444.75 11.72,-444.75 0,-408.75 45.58,-408.75 57.3,-444.75\"/>\n",
+       "<text text-anchor=\"middle\" x=\"28.65\" y=\"-424.02\" font-family=\"Times,serif\" font-size=\"8.00\">2.87</text>\n",
        "</g>\n",
-       "<!-- 75c3ecbb&#45;6f35&#45;442e&#45;b4b6&#45;c288dd4a0d48 -->\n",
-       "<g id=\"node40\" class=\"node\">\n",
-       "<title>75c3ecbb&#45;6f35&#45;442e&#45;b4b6&#45;c288dd4a0d48</title>\n",
-       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"1744.64,-444.75 1700.11,-444.75 1688.66,-408.75 1733.19,-408.75 1744.64,-444.75\"/>\n",
-       "<text text-anchor=\"middle\" x=\"1716.65\" y=\"-424.02\" font-family=\"Times,serif\" font-size=\"8.00\">0.0</text>\n",
+       "<!-- sample_1_SimulationCellLength&#45;&gt;e2e97c10&#45;71ad&#45;4145&#45;8a78&#45;5d2deedd6239 -->\n",
+       "<g id=\"edge32\" class=\"edge\">\n",
+       "<title>sample_1_SimulationCellLength&#45;&gt;e2e97c10&#45;71ad&#45;4145&#45;8a78&#45;5d2deedd6239</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M342.4,-353.51C271.16,-362.26 159.06,-379.39 65.65,-408.75 63.38,-409.46 61.08,-410.28 58.78,-411.16\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"57.49,-407.91 49.65,-415.04 60.22,-414.35 57.49,-407.91\"/>\n",
+       "<text text-anchor=\"middle\" x=\"206.02\" y=\"-383.15\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasLength_x</text>\n",
        "</g>\n",
-       "<!-- SimulationCell_1Vector03&#45;&gt;75c3ecbb&#45;6f35&#45;442e&#45;b4b6&#45;c288dd4a0d48 -->\n",
-       "<g id=\"edge29\" class=\"edge\">\n",
-       "<title>SimulationCell_1Vector03&#45;&gt;75c3ecbb&#45;6f35&#45;442e&#45;b4b6&#45;c288dd4a0d48</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M1682.09,-357.82C1694.31,-362.97 1705.82,-370.37 1713.65,-381 1717.23,-385.86 1718.92,-391.87 1719.53,-397.91\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"1716.04,-397.56 1719.65,-407.53 1723.04,-397.49 1716.04,-397.56\"/>\n",
-       "<text text-anchor=\"middle\" x=\"1763.65\" y=\"-383.15\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasComponent_x</text>\n",
+       "<!-- b2773cfd&#45;0473&#45;463e&#45;aa24&#45;26999c2f9891 -->\n",
+       "<g id=\"node41\" class=\"node\">\n",
+       "<title>b2773cfd&#45;0473&#45;463e&#45;aa24&#45;26999c2f9891</title>\n",
+       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"354.3,-444.75 308.72,-444.75 297,-408.75 342.58,-408.75 354.3,-444.75\"/>\n",
+       "<text text-anchor=\"middle\" x=\"325.65\" y=\"-424.02\" font-family=\"Times,serif\" font-size=\"8.00\">2.87</text>\n",
        "</g>\n",
-       "<!-- 43de97c5&#45;e39e&#45;4f52&#45;afab&#45;eb96a8ee2f94 -->\n",
-       "<g id=\"node45\" class=\"node\">\n",
-       "<title>43de97c5&#45;e39e&#45;4f52&#45;afab&#45;eb96a8ee2f94</title>\n",
-       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"1596.3,-444.75 1550.72,-444.75 1539,-408.75 1584.58,-408.75 1596.3,-444.75\"/>\n",
-       "<text text-anchor=\"middle\" x=\"1567.65\" y=\"-424.02\" font-family=\"Times,serif\" font-size=\"8.00\">2.87</text>\n",
+       "<!-- sample_1_SimulationCellLength&#45;&gt;b2773cfd&#45;0473&#45;463e&#45;aa24&#45;26999c2f9891 -->\n",
+       "<g id=\"edge34\" class=\"edge\">\n",
+       "<title>sample_1_SimulationCellLength&#45;&gt;b2773cfd&#45;0473&#45;463e&#45;aa24&#45;26999c2f9891</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M350.16,-363.46C342.33,-368.02 335.23,-373.77 329.9,-381 326.4,-385.75 324.6,-391.59 323.8,-397.47\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"320.32,-396.88 323.37,-407.03 327.31,-397.2 320.32,-396.88\"/>\n",
+       "<text text-anchor=\"middle\" x=\"367.02\" y=\"-383.15\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasLength_z</text>\n",
        "</g>\n",
-       "<!-- SimulationCell_1Vector03&#45;&gt;43de97c5&#45;e39e&#45;4f52&#45;afab&#45;eb96a8ee2f94 -->\n",
-       "<g id=\"edge35\" class=\"edge\">\n",
-       "<title>SimulationCell_1Vector03&#45;&gt;43de97c5&#45;e39e&#45;4f52&#45;afab&#45;eb96a8ee2f94</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M1563.22,-362.15C1547.38,-367.7 1533.34,-374.24 1528.65,-381 1523.98,-387.72 1525.96,-394.59 1530.92,-400.85\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"1527.96,-402.84 1537.52,-407.41 1532.9,-397.88 1527.96,-402.84\"/>\n",
-       "<text text-anchor=\"middle\" x=\"1573.65\" y=\"-383.15\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasComponent_z</text>\n",
+       "<!-- 3d70a636&#45;5214&#45;42d6&#45;a3ee&#45;e6f3707abaf9 -->\n",
+       "<g id=\"node69\" class=\"node\">\n",
+       "<title>3d70a636&#45;5214&#45;42d6&#45;a3ee&#45;e6f3707abaf9</title>\n",
+       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"429.3,-444.75 383.72,-444.75 372,-408.75 417.58,-408.75 429.3,-444.75\"/>\n",
+       "<text text-anchor=\"middle\" x=\"400.65\" y=\"-424.02\" font-family=\"Times,serif\" font-size=\"8.00\">2.87</text>\n",
        "</g>\n",
-       "<!-- 4168e87e&#45;2fe5&#45;412b&#45;a59b&#45;b596a8f8155e -->\n",
-       "<g id=\"node65\" class=\"node\">\n",
-       "<title>4168e87e&#45;2fe5&#45;412b&#45;a59b&#45;b596a8f8155e</title>\n",
-       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"1670.64,-444.75 1626.11,-444.75 1614.66,-408.75 1659.19,-408.75 1670.64,-444.75\"/>\n",
-       "<text text-anchor=\"middle\" x=\"1642.65\" y=\"-424.02\" font-family=\"Times,serif\" font-size=\"8.00\">0.0</text>\n",
+       "<!-- sample_1_SimulationCellLength&#45;&gt;3d70a636&#45;5214&#45;42d6&#45;a3ee&#45;e6f3707abaf9 -->\n",
+       "<g id=\"edge71\" class=\"edge\">\n",
+       "<title>sample_1_SimulationCellLength&#45;&gt;3d70a636&#45;5214&#45;42d6&#45;a3ee&#45;e6f3707abaf9</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M410.83,-363.3C409.21,-373.23 407.14,-385.94 405.29,-397.3\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"401.86,-396.55 403.71,-406.99 408.77,-397.68 401.86,-396.55\"/>\n",
+       "<text text-anchor=\"middle\" x=\"445.02\" y=\"-383.15\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasLength_y</text>\n",
        "</g>\n",
-       "<!-- SimulationCell_1Vector03&#45;&gt;4168e87e&#45;2fe5&#45;412b&#45;a59b&#45;b596a8f8155e -->\n",
-       "<g id=\"edge62\" class=\"edge\">\n",
-       "<title>SimulationCell_1Vector03&#45;&gt;4168e87e&#45;2fe5&#45;412b&#45;a59b&#45;b596a8f8155e</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M1621.15,-363.27C1620.9,-371.69 1621.29,-381.89 1623.65,-390.75 1624.35,-393.38 1625.28,-396.03 1626.36,-398.63\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"1623.53,-399.82 1631.06,-407.27 1629.83,-396.75 1623.53,-399.82\"/>\n",
-       "<text text-anchor=\"middle\" x=\"1668.65\" y=\"-383.15\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasComponent_y</text>\n",
+       "<!-- sample_1_ChemicalSpecies&#45;&gt;CHEBI.18248 -->\n",
+       "<g id=\"edge53\" class=\"edge\">\n",
+       "<title>sample_1_ChemicalSpecies&#45;&gt;CHEBI.18248</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M3355.48,-116.25C3358.57,-116.81 3361.64,-117.31 3364.65,-117.75 3608.14,-153.24 3680.03,-105.43 3922.13,-163.2\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"3921.03,-166.53 3931.57,-165.49 3922.68,-159.73 3921.03,-166.53\"/>\n",
+       "<text text-anchor=\"middle\" x=\"3866.15\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasElement</text>\n",
        "</g>\n",
-       "<!-- cmso.SimulationCellLength&#45;&gt;cmso.Length -->\n",
-       "<g id=\"edge69\" class=\"edge\">\n",
-       "<title>cmso.SimulationCellLength&#45;&gt;cmso.Length</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M1458.65,-445.05C1458.65,-455.09 1458.65,-467.96 1458.65,-479.41\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"1455.15,-479.23 1458.65,-489.23 1462.15,-479.23 1455.15,-479.23\"/>\n",
-       "<text text-anchor=\"middle\" x=\"1480.77\" y=\"-464.9\" font-family=\"Times,serif\" font-size=\"8.00\">subClassOf</text>\n",
+       "<!-- cmso.ChemicalSpecies -->\n",
+       "<g id=\"node46\" class=\"node\">\n",
+       "<title>cmso.ChemicalSpecies</title>\n",
+       "<polygon fill=\"#ffffcc\" stroke=\"#ffffcc\" points=\"3915.27,-199.5 3810.02,-199.5 3810.02,-163.5 3915.27,-163.5 3915.27,-199.5\"/>\n",
+       "<text text-anchor=\"middle\" x=\"3862.65\" y=\"-178.78\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.ChemicalSpecies</text>\n",
        "</g>\n",
-       "<!-- cmso.Element -->\n",
-       "<g id=\"node52\" class=\"node\">\n",
-       "<title>cmso.Element</title>\n",
-       "<polygon fill=\"#ffffcc\" stroke=\"#ffffcc\" points=\"2186.4,-281.25 2114.9,-281.25 2114.9,-245.25 2186.4,-245.25 2186.4,-281.25\"/>\n",
-       "<text text-anchor=\"middle\" x=\"2150.65\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.Element</text>\n",
+       "<!-- sample_1_ChemicalSpecies&#45;&gt;cmso.ChemicalSpecies -->\n",
+       "<g id=\"edge40\" class=\"edge\">\n",
+       "<title>sample_1_ChemicalSpecies&#45;&gt;cmso.ChemicalSpecies</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M3355.51,-116.06C3358.59,-116.67 3361.65,-117.24 3364.65,-117.75 3553.03,-150.04 3607.12,-128.32 3798.39,-163.27\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"3797.72,-166.7 3808.19,-165.09 3799,-159.82 3797.72,-166.7\"/>\n",
+       "<text text-anchor=\"middle\" x=\"3682.27\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">type</text>\n",
        "</g>\n",
-       "<!-- Atom_1_1_Element&#45;&gt;cmso.Element -->\n",
-       "<g id=\"edge43\" class=\"edge\">\n",
-       "<title>Atom_1_1_Element&#45;&gt;cmso.Element</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M2016.85,-196.84C2019.82,-197.75 2022.78,-198.64 2025.65,-199.5 2053.14,-207.74 2061.81,-205.02 2087.65,-217.5 2099.33,-223.14 2111.17,-230.91 2121.39,-238.38\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"2118.82,-241.58 2128.9,-244.82 2123.04,-236 2118.82,-241.58\"/>\n",
-       "<text text-anchor=\"middle\" x=\"2112.27\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">type</text>\n",
+       "<!-- sample_1_Material&#45;&gt;sample_1_CrystalStructure -->\n",
+       "<g id=\"edge38\" class=\"edge\">\n",
+       "<title>sample_1_Material&#45;&gt;sample_1_CrystalStructure</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M2263.65,-118.05C2263.65,-127.98 2263.65,-140.69 2263.65,-152.05\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"2260.15,-151.72 2263.65,-161.72 2267.15,-151.72 2260.15,-151.72\"/>\n",
+       "<text text-anchor=\"middle\" x=\"2300.77\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasStructure</text>\n",
        "</g>\n",
-       "<!-- 638147cb&#45;f97c&#45;4f46&#45;97cb&#45;642016cfc467 -->\n",
-       "<g id=\"node59\" class=\"node\">\n",
-       "<title>638147cb&#45;f97c&#45;4f46&#45;97cb&#45;642016cfc467</title>\n",
-       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"1984.64,-281.25 1940.11,-281.25 1928.66,-245.25 1973.19,-245.25 1984.64,-281.25\"/>\n",
-       "<text text-anchor=\"middle\" x=\"1956.65\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">Fe</text>\n",
+       "<!-- cmso.CrystallineMaterial -->\n",
+       "<g id=\"node45\" class=\"node\">\n",
+       "<title>cmso.CrystallineMaterial</title>\n",
+       "<polygon fill=\"#ffffcc\" stroke=\"#ffffcc\" points=\"2184.4,-199.5 2070.9,-199.5 2070.9,-163.5 2184.4,-163.5 2184.4,-199.5\"/>\n",
+       "<text text-anchor=\"middle\" x=\"2127.65\" y=\"-178.78\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.CrystallineMaterial</text>\n",
        "</g>\n",
-       "<!-- Atom_1_1_Element&#45;&gt;638147cb&#45;f97c&#45;4f46&#45;97cb&#45;642016cfc467 -->\n",
-       "<g id=\"edge51\" class=\"edge\">\n",
-       "<title>Atom_1_1_Element&#45;&gt;638147cb&#45;f97c&#45;4f46&#45;97cb&#45;642016cfc467</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M1967.61,-199.8C1965.85,-209.84 1963.59,-222.71 1961.58,-234.16\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"1957.96,-233.52 1959.68,-243.98 1964.86,-234.74 1957.96,-233.52\"/>\n",
-       "<text text-anchor=\"middle\" x=\"1996.27\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasSymbol</text>\n",
+       "<!-- sample_1_Material&#45;&gt;cmso.CrystallineMaterial -->\n",
+       "<g id=\"edge39\" class=\"edge\">\n",
+       "<title>sample_1_Material&#45;&gt;cmso.CrystallineMaterial</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M2234.14,-118.05C2214.45,-129.6 2188.33,-144.92 2166.89,-157.49\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"2165.26,-154.39 2158.41,-162.46 2168.8,-160.42 2165.26,-154.39\"/>\n",
+       "<text text-anchor=\"middle\" x=\"2212.27\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">type</text>\n",
        "</g>\n",
-       "<!-- SimulationCell_1Vector01&#45;&gt;cmso.SimulationCellVector -->\n",
-       "<g id=\"edge55\" class=\"edge\">\n",
-       "<title>SimulationCell_1Vector01&#45;&gt;cmso.SimulationCellVector</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M1906.43,-363.3C1891.15,-374.7 1870.95,-389.75 1854.21,-402.22\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"1852.75,-399.7 1846.82,-408.48 1856.93,-405.31 1852.75,-399.7\"/>\n",
-       "<text text-anchor=\"middle\" x=\"1891.27\" y=\"-383.15\" font-family=\"Times,serif\" font-size=\"8.00\">type</text>\n",
+       "<!-- cmso.LatticeAngle&#45;&gt;cmso.Angle -->\n",
+       "<g id=\"edge69\" class=\"edge\">\n",
+       "<title>cmso.LatticeAngle&#45;&gt;cmso.Angle</title>\n",
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+       "<title>cmso.LatticeVector</title>\n",
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+       "<g id=\"node67\" class=\"node\">\n",
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-       "<text text-anchor=\"middle\" x=\"2531.27\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasSymbol</text>\n",
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+       "<g id=\"edge112\" class=\"edge\">\n",
+       "<title>sample_1_CrystalStructure&#45;&gt;cmso.CrystalStructure</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M2793.69,-198.28C2796.48,-198.75 2799.26,-199.16 2801.99,-199.5 3134.07,-241.26 3975.54,-178.89 4307.99,-217.5 4327.78,-219.8 4332,-224.62 4351.74,-227.25 4522.39,-249.98 4571.25,-219.18 4745.04,-245.22\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"4744.49,-248.68 4754.91,-246.74 4745.56,-241.76 4744.49,-248.68\"/>\n",
+       "<text text-anchor=\"middle\" x=\"4360.62\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">type</text>\n",
        "</g>\n",
-       "<!-- 7d744f5a&#45;84f8&#45;4829&#45;9906&#45;916bd48c2345 -->\n",
-       "<g id=\"node144\" class=\"node\">\n",
-       "<title>7d744f5a&#45;84f8&#45;4829&#45;9906&#45;916bd48c2345</title>\n",
-       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"12082.64,-281.25 12037.07,-281.25 12025.34,-245.25 12070.92,-245.25 12082.64,-281.25\"/>\n",
-       "<text text-anchor=\"middle\" x=\"12053.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">2.87</text>\n",
+       "<!-- sample_1_UnitCell -->\n",
+       "<g id=\"node52\" class=\"node\">\n",
+       "<title>sample_1_UnitCell</title>\n",
+       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"1834.37,-281.25 1745.62,-281.25 1745.62,-245.25 1834.37,-245.25 1834.37,-281.25\"/>\n",
+       "<text text-anchor=\"middle\" x=\"1789.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">sample_1_UnitCell</text>\n",
        "</g>\n",
-       "<!-- SimulationCell_1Length&#45;&gt;7d744f5a&#45;84f8&#45;4829&#45;9906&#45;916bd48c2345 -->\n",
-       "<g id=\"edge130\" class=\"edge\">\n",
-       "<title>SimulationCell_1Length&#45;&gt;7d744f5a&#45;84f8&#45;4829&#45;9906&#45;916bd48c2345</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M12053.99,-199.8C12053.99,-209.84 12053.99,-222.71 12053.99,-234.16\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"12050.49,-233.98 12053.99,-243.98 12057.49,-233.98 12050.49,-233.98\"/>\n",
-       "<text text-anchor=\"middle\" x=\"12090.37\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasLength_z</text>\n",
+       "<!-- sample_1_CrystalStructure&#45;&gt;sample_1_UnitCell -->\n",
+       "<g id=\"edge138\" class=\"edge\">\n",
+       "<title>sample_1_CrystalStructure&#45;&gt;sample_1_UnitCell</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M2670.29,-198.26C2667.5,-198.73 2664.72,-199.15 2661.99,-199.5 2637.02,-202.74 1773.37,-199.52 1755.74,-217.5 1749.96,-223.39 1751.71,-230.26 1756.66,-236.83\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"1753.84,-238.94 1763.26,-243.78 1758.91,-234.12 1753.84,-238.94\"/>\n",
+       "<text text-anchor=\"middle\" x=\"1790.12\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasUnitCell</text>\n",
+       "</g>\n",
+       "<!-- 804fceb6&#45;683b&#45;4279&#45;a4d7&#45;275eadfb2f98 -->\n",
+       "<g id=\"node75\" class=\"node\">\n",
+       "<title>804fceb6&#45;683b&#45;4279&#45;a4d7&#45;275eadfb2f98</title>\n",
+       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"1907.98,-281.25 1863.46,-281.25 1852,-245.25 1896.53,-245.25 1907.98,-281.25\"/>\n",
+       "<text text-anchor=\"middle\" x=\"1879.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">229</text>\n",
        "</g>\n",
-       "<!-- SimulationCell_3 -->\n",
+       "<!-- sample_1_CrystalStructure&#45;&gt;804fceb6&#45;683b&#45;4279&#45;a4d7&#45;275eadfb2f98 -->\n",
+       "<g id=\"edge50\" class=\"edge\">\n",
+       "<title>sample_1_CrystalStructure&#45;&gt;804fceb6&#45;683b&#45;4279&#45;a4d7&#45;275eadfb2f98</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M2670.29,-198.25C2667.5,-198.72 2664.72,-199.14 2661.99,-199.5 2639.11,-202.49 1847.63,-201.01 1831.49,-217.5 1822.27,-226.92 1831.14,-236.92 1843.7,-245.06\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"1841.57,-247.88 1851.98,-249.87 1845.09,-241.82 1841.57,-247.88\"/>\n",
+       "<text text-anchor=\"middle\" x=\"1891.24\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasSpaceGroupNumber</text>\n",
+       "</g>\n",
+       "<!-- CHEBI.28112 -->\n",
        "<g id=\"node3\" class=\"node\">\n",
-       "<title>SimulationCell_3</title>\n",
-       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"9431.99,-117.75 9349.99,-117.75 9349.99,-81.75 9431.99,-81.75 9431.99,-117.75\"/>\n",
-       "<text text-anchor=\"middle\" x=\"9390.99\" y=\"-97.03\" font-family=\"Times,serif\" font-size=\"8.00\">SimulationCell_3</text>\n",
+       "<title>CHEBI.28112</title>\n",
+       "<polygon fill=\"#ffffcc\" stroke=\"#ffffcc\" points=\"5740.12,-199.5 5667.87,-199.5 5667.87,-163.5 5740.12,-163.5 5740.12,-199.5\"/>\n",
+       "<text text-anchor=\"middle\" x=\"5703.99\" y=\"-178.78\" font-family=\"Times,serif\" font-size=\"8.00\">CHEBI.28112</text>\n",
        "</g>\n",
-       "<!-- cmso.SimulationCell -->\n",
+       "<!-- cmso.Element -->\n",
        "<g id=\"node4\" class=\"node\">\n",
-       "<title>cmso.SimulationCell</title>\n",
-       "<polygon fill=\"#ffffcc\" stroke=\"#ffffcc\" points=\"9355.74,-199.5 9260.24,-199.5 9260.24,-163.5 9355.74,-163.5 9355.74,-199.5\"/>\n",
-       "<text text-anchor=\"middle\" x=\"9307.99\" y=\"-178.78\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.SimulationCell</text>\n",
+       "<title>cmso.Element</title>\n",
+       "<polygon fill=\"#ffffcc\" stroke=\"#ffffcc\" points=\"5427.74,-281.25 5356.24,-281.25 5356.24,-245.25 5427.74,-245.25 5427.74,-281.25\"/>\n",
+       "<text text-anchor=\"middle\" x=\"5391.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.Element</text>\n",
        "</g>\n",
-       "<!-- SimulationCell_3&#45;&gt;cmso.SimulationCell -->\n",
+       "<!-- CHEBI.28112&#45;&gt;cmso.Element -->\n",
        "<g id=\"edge2\" class=\"edge\">\n",
-       "<title>SimulationCell_3&#45;&gt;cmso.SimulationCell</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M9372.98,-118.05C9361.45,-129.13 9346.32,-143.68 9333.55,-155.94\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"9331.75,-152.78 9326.97,-162.23 9336.6,-157.82 9331.75,-152.78\"/>\n",
-       "<text text-anchor=\"middle\" x=\"9363.62\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">type</text>\n",
+       "<title>CHEBI.28112&#45;&gt;cmso.Element</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M5667.61,-197.01C5664.39,-197.97 5661.16,-198.82 5657.99,-199.5 5629.22,-205.66 5414.25,-196.39 5393.74,-217.5 5389.58,-221.78 5387.76,-227.52 5387.25,-233.46\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"5383.74,-233.39 5387.56,-243.27 5390.74,-233.17 5383.74,-233.39\"/>\n",
+       "<text text-anchor=\"middle\" x=\"5401.62\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">type</text>\n",
        "</g>\n",
-       "<!-- SimulationCell_3Length -->\n",
-       "<g id=\"node15\" class=\"node\">\n",
-       "<title>SimulationCell_3Length</title>\n",
-       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"10212.24,-199.5 10101.74,-199.5 10101.74,-163.5 10212.24,-163.5 10212.24,-199.5\"/>\n",
-       "<text text-anchor=\"middle\" x=\"10156.99\" y=\"-178.78\" font-family=\"Times,serif\" font-size=\"8.00\">SimulationCell_3Length</text>\n",
-       "</g>\n",
-       "<!-- SimulationCell_3&#45;&gt;SimulationCell_3Length -->\n",
-       "<g id=\"edge249\" class=\"edge\">\n",
-       "<title>SimulationCell_3&#45;&gt;SimulationCell_3Length</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M9432.45,-105.07C9558.3,-118.17 9936.75,-157.57 10090.74,-173.6\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"10090.12,-177.16 10100.43,-174.72 10090.84,-170.2 10090.12,-177.16\"/>\n",
-       "<text text-anchor=\"middle\" x=\"9852.24\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasLength</text>\n",
-       "</g>\n",
-       "<!-- SimulationCell_3Vector02 -->\n",
-       "<g id=\"node34\" class=\"node\">\n",
-       "<title>SimulationCell_3Vector02</title>\n",
-       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"10623.99,-199.5 10505.99,-199.5 10505.99,-163.5 10623.99,-163.5 10623.99,-199.5\"/>\n",
-       "<text text-anchor=\"middle\" x=\"10564.99\" y=\"-178.78\" font-family=\"Times,serif\" font-size=\"8.00\">SimulationCell_3Vector02</text>\n",
+       "<!-- 7541e865&#45;0d26&#45;4008&#45;92cc&#45;799ccacd1b9a -->\n",
+       "<g id=\"node123\" class=\"node\">\n",
+       "<title>7541e865&#45;0d26&#45;4008&#45;92cc&#45;799ccacd1b9a</title>\n",
+       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"5181.64,-281.25 5136.07,-281.25 5124.34,-245.25 5169.92,-245.25 5181.64,-281.25\"/>\n",
+       "<text text-anchor=\"middle\" x=\"5152.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">0.75</text>\n",
        "</g>\n",
-       "<!-- SimulationCell_3&#45;&gt;SimulationCell_3Vector02 -->\n",
-       "<g id=\"edge128\" class=\"edge\">\n",
-       "<title>SimulationCell_3&#45;&gt;SimulationCell_3Vector02</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M9432.43,-103.56C9606,-115.36 10275.7,-160.85 10495.02,-175.75\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"10494.52,-179.29 10504.73,-176.47 10494.99,-172.3 10494.52,-179.29\"/>\n",
-       "<text text-anchor=\"middle\" x=\"10079.74\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasVector</text>\n",
+       "<!-- CHEBI.28112&#45;&gt;7541e865&#45;0d26&#45;4008&#45;92cc&#45;799ccacd1b9a -->\n",
+       "<g id=\"edge116\" class=\"edge\">\n",
+       "<title>CHEBI.28112&#45;&gt;7541e865&#45;0d26&#45;4008&#45;92cc&#45;799ccacd1b9a</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M5667.38,-197.2C5664.24,-198.1 5661.08,-198.89 5657.99,-199.5 5630.49,-204.93 5173.38,-197.49 5153.74,-217.5 5149.56,-221.76 5147.82,-227.49 5147.44,-233.42\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"5143.93,-233.46 5147.99,-243.25 5150.92,-233.07 5143.93,-233.46\"/>\n",
+       "<text text-anchor=\"middle\" x=\"5197.62\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasElementRatio</text>\n",
        "</g>\n",
-       "<!-- SimulationCell_3Vector03 -->\n",
-       "<g id=\"node64\" class=\"node\">\n",
-       "<title>SimulationCell_3Vector03</title>\n",
-       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"9233.99,-199.5 9115.99,-199.5 9115.99,-163.5 9233.99,-163.5 9233.99,-199.5\"/>\n",
-       "<text text-anchor=\"middle\" x=\"9174.99\" y=\"-178.78\" font-family=\"Times,serif\" font-size=\"8.00\">SimulationCell_3Vector03</text>\n",
-       "</g>\n",
-       "<!-- SimulationCell_3&#45;&gt;SimulationCell_3Vector03 -->\n",
-       "<g id=\"edge225\" class=\"edge\">\n",
-       "<title>SimulationCell_3&#45;&gt;SimulationCell_3Vector03</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M9349.62,-112.66C9328.47,-119.01 9302.42,-127.27 9279.49,-135.75 9260.77,-142.68 9240.53,-151.12 9222.89,-158.79\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"9221.59,-155.98 9213.84,-163.2 9224.4,-162.39 9221.59,-155.98\"/>\n",
-       "<text text-anchor=\"middle\" x=\"9310.74\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasVector</text>\n",
-       "</g>\n",
-       "<!-- 1944730c&#45;04fe&#45;4df8&#45;914a&#45;92adc093f5f0 -->\n",
-       "<g id=\"node115\" class=\"node\">\n",
-       "<title>1944730c&#45;04fe&#45;4df8&#45;914a&#45;92adc093f5f0</title>\n",
-       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"9097.91,-199.5 9031.23,-199.5 9014.07,-163.5 9080.76,-163.5 9097.91,-199.5\"/>\n",
-       "<text text-anchor=\"middle\" x=\"9055.99\" y=\"-178.78\" font-family=\"Times,serif\" font-size=\"8.00\">1228.48</text>\n",
+       "<!-- a2f17e37&#45;fd38&#45;48d4&#45;89a1&#45;eed7c9223e8e -->\n",
+       "<g id=\"node173\" class=\"node\">\n",
+       "<title>a2f17e37&#45;fd38&#45;48d4&#45;89a1&#45;eed7c9223e8e</title>\n",
+       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"5332.98,-281.25 5288.46,-281.25 5277,-245.25 5321.53,-245.25 5332.98,-281.25\"/>\n",
+       "<text text-anchor=\"middle\" x=\"5304.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">Ni</text>\n",
        "</g>\n",
-       "<!-- SimulationCell_3&#45;&gt;1944730c&#45;04fe&#45;4df8&#45;914a&#45;92adc093f5f0 -->\n",
-       "<g id=\"edge92\" class=\"edge\">\n",
-       "<title>SimulationCell_3&#45;&gt;1944730c&#45;04fe&#45;4df8&#45;914a&#45;92adc093f5f0</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M9349.66,-103.35C9283.33,-107.96 9156.35,-118.72 9114.74,-135.75 9103.02,-140.55 9091.6,-148.3 9081.99,-156.02\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"9080.1,-153.88 9074.72,-163.01 9084.62,-159.23 9080.1,-153.88\"/>\n",
-       "<text text-anchor=\"middle\" x=\"9147.62\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasVolume</text>\n",
+       "<!-- CHEBI.28112&#45;&gt;a2f17e37&#45;fd38&#45;48d4&#45;89a1&#45;eed7c9223e8e -->\n",
+       "<g id=\"edge204\" class=\"edge\">\n",
+       "<title>CHEBI.28112&#45;&gt;a2f17e37&#45;fd38&#45;48d4&#45;89a1&#45;eed7c9223e8e</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M5667.37,-197.14C5664.23,-198.06 5661.08,-198.86 5657.99,-199.5 5621.02,-207.13 5348.5,-194.27 5318.74,-217.5 5313.41,-221.67 5310.09,-227.86 5308.04,-234.31\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"5304.72,-233.13 5305.98,-243.65 5311.55,-234.63 5304.72,-233.13\"/>\n",
+       "<text text-anchor=\"middle\" x=\"5350.62\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasSymbol</text>\n",
        "</g>\n",
-       "<!-- SimulationCell_3Vector01 -->\n",
-       "<g id=\"node124\" class=\"node\">\n",
-       "<title>SimulationCell_3Vector01</title>\n",
-       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"9491.99,-199.5 9373.99,-199.5 9373.99,-163.5 9491.99,-163.5 9491.99,-199.5\"/>\n",
-       "<text text-anchor=\"middle\" x=\"9432.99\" y=\"-178.78\" font-family=\"Times,serif\" font-size=\"8.00\">SimulationCell_3Vector01</text>\n",
-       "</g>\n",
-       "<!-- SimulationCell_3&#45;&gt;SimulationCell_3Vector01 -->\n",
-       "<g id=\"edge246\" class=\"edge\">\n",
-       "<title>SimulationCell_3&#45;&gt;SimulationCell_3Vector01</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M9400.11,-118.05C9405.61,-128.51 9412.74,-142.04 9418.95,-153.84\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"9416.14,-155.01 9423.9,-162.23 9422.33,-151.75 9416.14,-155.01\"/>\n",
-       "<text text-anchor=\"middle\" x=\"9445.74\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasVector</text>\n",
-       "</g>\n",
-       "<!-- SimulationCell_3Angle -->\n",
-       "<g id=\"node150\" class=\"node\">\n",
-       "<title>SimulationCell_3Angle</title>\n",
-       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"9803.62,-199.5 9698.37,-199.5 9698.37,-163.5 9803.62,-163.5 9803.62,-199.5\"/>\n",
-       "<text text-anchor=\"middle\" x=\"9750.99\" y=\"-178.78\" font-family=\"Times,serif\" font-size=\"8.00\">SimulationCell_3Angle</text>\n",
-       "</g>\n",
-       "<!-- SimulationCell_3&#45;&gt;SimulationCell_3Angle -->\n",
-       "<g id=\"edge311\" class=\"edge\">\n",
-       "<title>SimulationCell_3&#45;&gt;SimulationCell_3Angle</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M9432.35,-108.46C9468.08,-115.25 9521.06,-125.6 9566.99,-135.75 9607.14,-144.62 9651.97,-155.5 9687.33,-164.32\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"9686.44,-167.95 9696.99,-166.98 9688.14,-161.16 9686.44,-167.95\"/>\n",
-       "<text text-anchor=\"middle\" x=\"9637.62\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasAngle</text>\n",
-       "</g>\n",
-       "<!-- UnitCell_1LatticeAngle -->\n",
+       "<!-- sample_2_SimulationCellAngle -->\n",
        "<g id=\"node5\" class=\"node\">\n",
-       "<title>UnitCell_1LatticeAngle</title>\n",
-       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"10748.74,-363 10641.24,-363 10641.24,-327 10748.74,-327 10748.74,-363\"/>\n",
-       "<text text-anchor=\"middle\" x=\"10694.99\" y=\"-342.27\" font-family=\"Times,serif\" font-size=\"8.00\">UnitCell_1LatticeAngle</text>\n",
+       "<title>sample_2_SimulationCellAngle</title>\n",
+       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"7783.37,-199.5 7646.62,-199.5 7646.62,-163.5 7783.37,-163.5 7783.37,-199.5\"/>\n",
+       "<text text-anchor=\"middle\" x=\"7714.99\" y=\"-178.78\" font-family=\"Times,serif\" font-size=\"8.00\">sample_2_SimulationCellAngle</text>\n",
        "</g>\n",
-       "<!-- cmso.LatticeAngle -->\n",
+       "<!-- 20ed70e1&#45;e1e2&#45;4854&#45;9773&#45;36aa867d7afb -->\n",
        "<g id=\"node6\" class=\"node\">\n",
-       "<title>cmso.LatticeAngle</title>\n",
-       "<polygon fill=\"#ffffcc\" stroke=\"#ffffcc\" points=\"8678.37,-444.75 8589.62,-444.75 8589.62,-408.75 8678.37,-408.75 8678.37,-444.75\"/>\n",
-       "<text text-anchor=\"middle\" x=\"8633.99\" y=\"-424.02\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.LatticeAngle</text>\n",
+       "<title>20ed70e1&#45;e1e2&#45;4854&#45;9773&#45;36aa867d7afb</title>\n",
+       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"8019.64,-281.25 7974.07,-281.25 7962.34,-245.25 8007.92,-245.25 8019.64,-281.25\"/>\n",
+       "<text text-anchor=\"middle\" x=\"7990.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">90.0</text>\n",
        "</g>\n",
-       "<!-- UnitCell_1LatticeAngle&#45;&gt;cmso.LatticeAngle -->\n",
+       "<!-- sample_2_SimulationCellAngle&#45;&gt;20ed70e1&#45;e1e2&#45;4854&#45;9773&#45;36aa867d7afb -->\n",
        "<g id=\"edge3\" class=\"edge\">\n",
-       "<title>UnitCell_1LatticeAngle&#45;&gt;cmso.LatticeAngle</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M10641.01,-348.25C10476.92,-355.06 9969.6,-375.9 9548.99,-390.75 9295.69,-399.69 9232.25,-398.51 8978.99,-408.75 8876.82,-412.88 8757.71,-419.05 8689.54,-422.71\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"8689.44,-419.26 8679.64,-423.3 8689.81,-426.25 8689.44,-419.26\"/>\n",
-       "<text text-anchor=\"middle\" x=\"9809.62\" y=\"-383.15\" font-family=\"Times,serif\" font-size=\"8.00\">type</text>\n",
+       "<title>sample_2_SimulationCellAngle&#45;&gt;20ed70e1&#45;e1e2&#45;4854&#45;9773&#45;36aa867d7afb</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M7783.82,-197.92C7786.91,-198.48 7789.98,-199.01 7792.99,-199.5 7829.4,-205.44 7926.02,-199.11 7957.99,-217.5 7965.47,-221.8 7971.75,-228.55 7976.76,-235.52\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"7973.63,-237.13 7981.97,-243.67 7979.53,-233.36 7973.63,-237.13\"/>\n",
+       "<text text-anchor=\"middle\" x=\"8015.12\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasAngle_gamma</text>\n",
        "</g>\n",
-       "<!-- 71fc83a0&#45;ea60&#45;482f&#45;b355&#45;f10587cb40eb -->\n",
-       "<g id=\"node94\" class=\"node\">\n",
-       "<title>71fc83a0&#45;ea60&#45;482f&#45;b355&#45;f10587cb40eb</title>\n",
-       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"10722.98,-444.75 10678.46,-444.75 10667,-408.75 10711.53,-408.75 10722.98,-444.75\"/>\n",
-       "<text text-anchor=\"middle\" x=\"10694.99\" y=\"-424.02\" font-family=\"Times,serif\" font-size=\"8.00\">90</text>\n",
+       "<!-- cmso.SimulationCellAngle -->\n",
+       "<g id=\"node26\" class=\"node\">\n",
+       "<title>cmso.SimulationCellAngle</title>\n",
+       "<polygon fill=\"#ffffcc\" stroke=\"#ffffcc\" points=\"4009.37,-281.25 3890.62,-281.25 3890.62,-245.25 4009.37,-245.25 4009.37,-281.25\"/>\n",
+       "<text text-anchor=\"middle\" x=\"3949.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.SimulationCellAngle</text>\n",
        "</g>\n",
-       "<!-- UnitCell_1LatticeAngle&#45;&gt;71fc83a0&#45;ea60&#45;482f&#45;b355&#45;f10587cb40eb -->\n",
-       "<g id=\"edge73\" class=\"edge\">\n",
-       "<title>UnitCell_1LatticeAngle&#45;&gt;71fc83a0&#45;ea60&#45;482f&#45;b355&#45;f10587cb40eb</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M10694.99,-363.3C10694.99,-373.34 10694.99,-386.21 10694.99,-397.66\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"10691.49,-397.48 10694.99,-407.48 10698.49,-397.48 10691.49,-397.48\"/>\n",
-       "<text text-anchor=\"middle\" x=\"10737.37\" y=\"-383.15\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasAngle_alpha</text>\n",
+       "<!-- sample_2_SimulationCellAngle&#45;&gt;cmso.SimulationCellAngle -->\n",
+       "<g id=\"edge200\" class=\"edge\">\n",
+       "<title>sample_2_SimulationCellAngle&#45;&gt;cmso.SimulationCellAngle</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M7646.25,-198.27C7643.47,-198.72 7640.71,-199.14 7637.99,-199.5 7479.55,-220.81 7434.49,-181.45 7278.74,-217.5 7268.03,-219.98 7266.76,-225.01 7255.99,-227.25 7082.71,-263.32 4288.69,-224.08 4020.66,-245.41\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"4020.66,-241.89 4011.05,-246.36 4021.34,-248.86 4020.66,-241.89\"/>\n",
+       "<text text-anchor=\"middle\" x=\"7286.62\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">type</text>\n",
        "</g>\n",
-       "<!-- 873c043d&#45;7afd&#45;40f5&#45;b4a2&#45;e42b25b58e33 -->\n",
-       "<g id=\"node103\" class=\"node\">\n",
-       "<title>873c043d&#45;7afd&#45;40f5&#45;b4a2&#45;e42b25b58e33</title>\n",
-       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"10830.98,-444.75 10786.46,-444.75 10775,-408.75 10819.53,-408.75 10830.98,-444.75\"/>\n",
-       "<text text-anchor=\"middle\" x=\"10802.99\" y=\"-424.02\" font-family=\"Times,serif\" font-size=\"8.00\">90</text>\n",
+       "<!-- c4cecc62&#45;1398&#45;40be&#45;adb9&#45;b34da2073274 -->\n",
+       "<g id=\"node102\" class=\"node\">\n",
+       "<title>c4cecc62&#45;1398&#45;40be&#45;adb9&#45;b34da2073274</title>\n",
+       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"8134.64,-281.25 8089.07,-281.25 8077.34,-245.25 8122.92,-245.25 8134.64,-281.25\"/>\n",
+       "<text text-anchor=\"middle\" x=\"8105.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">90.0</text>\n",
        "</g>\n",
-       "<!-- UnitCell_1LatticeAngle&#45;&gt;873c043d&#45;7afd&#45;40f5&#45;b4a2&#45;e42b25b58e33 -->\n",
-       "<g id=\"edge79\" class=\"edge\">\n",
-       "<title>UnitCell_1LatticeAngle&#45;&gt;873c043d&#45;7afd&#45;40f5&#45;b4a2&#45;e42b25b58e33</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M10749.01,-360.99C10760.51,-366 10771.91,-372.54 10780.99,-381 10786.23,-385.88 10790.38,-392.28 10793.6,-398.7\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"10790.71,-399.83 10797.91,-407.6 10797.12,-397.04 10790.71,-399.83\"/>\n",
-       "<text text-anchor=\"middle\" x=\"10835.12\" y=\"-383.15\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasAngle_gamma</text>\n",
-       "</g>\n",
-       "<!-- 13a36e66&#45;8b53&#45;40de&#45;a203&#45;e1525ce50221 -->\n",
-       "<g id=\"node226\" class=\"node\">\n",
-       "<title>13a36e66&#45;8b53&#45;40de&#45;a203&#45;e1525ce50221</title>\n",
-       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"10579.98,-444.75 10535.46,-444.75 10524,-408.75 10568.53,-408.75 10579.98,-444.75\"/>\n",
-       "<text text-anchor=\"middle\" x=\"10551.99\" y=\"-424.02\" font-family=\"Times,serif\" font-size=\"8.00\">90</text>\n",
-       "</g>\n",
-       "<!-- UnitCell_1LatticeAngle&#45;&gt;13a36e66&#45;8b53&#45;40de&#45;a203&#45;e1525ce50221 -->\n",
-       "<g id=\"edge264\" class=\"edge\">\n",
-       "<title>UnitCell_1LatticeAngle&#45;&gt;13a36e66&#45;8b53&#45;40de&#45;a203&#45;e1525ce50221</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M10641.06,-352.41C10605.64,-357.85 10563.88,-367.03 10552.74,-381 10548.99,-385.71 10547.44,-391.67 10547.1,-397.69\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"10543.64,-397.51 10547.59,-407.34 10550.63,-397.18 10543.64,-397.51\"/>\n",
-       "<text text-anchor=\"middle\" x=\"10593.12\" y=\"-383.15\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasAngle_beta</text>\n",
+       "<!-- sample_2_SimulationCellAngle&#45;&gt;c4cecc62&#45;1398&#45;40be&#45;adb9&#45;b34da2073274 -->\n",
+       "<g id=\"edge77\" class=\"edge\">\n",
+       "<title>sample_2_SimulationCellAngle&#45;&gt;c4cecc62&#45;1398&#45;40be&#45;adb9&#45;b34da2073274</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M7783.8,-198.08C7786.9,-198.59 7789.97,-199.07 7792.99,-199.5 7852.97,-207.97 8010.38,-191.28 8064.99,-217.5 8074,-221.83 8081.97,-229.09 8088.42,-236.53\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"8085.38,-238.32 8094.34,-243.98 8090.86,-233.97 8085.38,-238.32\"/>\n",
+       "<text text-anchor=\"middle\" x=\"8118.12\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasAngle_beta</text>\n",
        "</g>\n",
-       "<!-- cmso.Angle -->\n",
-       "<g id=\"node128\" class=\"node\">\n",
-       "<title>cmso.Angle</title>\n",
-       "<polygon fill=\"#ffffcc\" stroke=\"#ffffcc\" points=\"9292.87,-526.5 9231.12,-526.5 9231.12,-490.5 9292.87,-490.5 9292.87,-526.5\"/>\n",
-       "<text text-anchor=\"middle\" x=\"9261.99\" y=\"-505.77\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.Angle</text>\n",
+       "<!-- 64bc45db&#45;f532&#45;4deb&#45;a2d7&#45;af8ff216e585 -->\n",
+       "<g id=\"node169\" class=\"node\">\n",
+       "<title>64bc45db&#45;f532&#45;4deb&#45;a2d7&#45;af8ff216e585</title>\n",
+       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"7911.64,-281.25 7866.07,-281.25 7854.34,-245.25 7899.92,-245.25 7911.64,-281.25\"/>\n",
+       "<text text-anchor=\"middle\" x=\"7882.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">90.0</text>\n",
        "</g>\n",
-       "<!-- cmso.LatticeAngle&#45;&gt;cmso.Angle -->\n",
-       "<g id=\"edge105\" class=\"edge\">\n",
-       "<title>cmso.LatticeAngle&#45;&gt;cmso.Angle</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M8678.65,-433.42C8795.13,-448.21 9106.95,-487.81 9220.17,-502.19\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"9219.45,-505.75 9229.81,-503.54 9220.33,-498.81 9219.45,-505.75\"/>\n",
-       "<text text-anchor=\"middle\" x=\"9008.12\" y=\"-464.9\" font-family=\"Times,serif\" font-size=\"8.00\">subClassOf</text>\n",
+       "<!-- sample_2_SimulationCellAngle&#45;&gt;64bc45db&#45;f532&#45;4deb&#45;a2d7&#45;af8ff216e585 -->\n",
+       "<g id=\"edge194\" class=\"edge\">\n",
+       "<title>sample_2_SimulationCellAngle&#45;&gt;64bc45db&#45;f532&#45;4deb&#45;a2d7&#45;af8ff216e585</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M7783.46,-197.57C7819.8,-205.8 7857.67,-214.84 7860.99,-217.5 7866.54,-221.93 7870.79,-228.12 7874,-234.48\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"7870.77,-235.83 7877.89,-243.67 7877.22,-233.1 7870.77,-235.83\"/>\n",
+       "<text text-anchor=\"middle\" x=\"7911.37\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasAngle_alpha</text>\n",
        "</g>\n",
-       "<!-- Atom_2_2 -->\n",
+       "<!-- sample_2_CrystalStructure -->\n",
        "<g id=\"node7\" class=\"node\">\n",
-       "<title>Atom_2_2</title>\n",
-       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"5401.49,-117.75 5346.49,-117.75 5346.49,-81.75 5401.49,-81.75 5401.49,-117.75\"/>\n",
-       "<text text-anchor=\"middle\" x=\"5373.99\" y=\"-97.03\" font-family=\"Times,serif\" font-size=\"8.00\">Atom_2_2</text>\n",
+       "<title>sample_2_CrystalStructure</title>\n",
+       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"6094.24,-199.5 5971.74,-199.5 5971.74,-163.5 6094.24,-163.5 6094.24,-199.5\"/>\n",
+       "<text text-anchor=\"middle\" x=\"6032.99\" y=\"-178.78\" font-family=\"Times,serif\" font-size=\"8.00\">sample_2_CrystalStructure</text>\n",
        "</g>\n",
-       "<!-- Atom_2_2_Element -->\n",
+       "<!-- d7cde4e6&#45;63cc&#45;4426&#45;bac3&#45;1daeb37fbd4f -->\n",
        "<g id=\"node8\" class=\"node\">\n",
-       "<title>Atom_2_2_Element</title>\n",
-       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"5327.87,-199.5 5236.12,-199.5 5236.12,-163.5 5327.87,-163.5 5327.87,-199.5\"/>\n",
-       "<text text-anchor=\"middle\" x=\"5281.99\" y=\"-178.78\" font-family=\"Times,serif\" font-size=\"8.00\">Atom_2_2_Element</text>\n",
+       "<title>d7cde4e6&#45;63cc&#45;4426&#45;bac3&#45;1daeb37fbd4f</title>\n",
+       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"6036.81,-281.25 5967.11,-281.25 5949.18,-245.25 6018.88,-245.25 6036.81,-281.25\"/>\n",
+       "<text text-anchor=\"middle\" x=\"5992.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">Diamond</text>\n",
        "</g>\n",
-       "<!-- Atom_2_2&#45;&gt;Atom_2_2_Element -->\n",
+       "<!-- sample_2_CrystalStructure&#45;&gt;d7cde4e6&#45;63cc&#45;4426&#45;bac3&#45;1daeb37fbd4f -->\n",
        "<g id=\"edge4\" class=\"edge\">\n",
-       "<title>Atom_2_2&#45;&gt;Atom_2_2_Element</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M5346.1,-108.75C5331.1,-114.27 5313.23,-122.95 5300.99,-135.75 5296.36,-140.6 5292.77,-146.75 5290.03,-152.92\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"5286.44,-151.52 5286.17,-162.11 5292.98,-154 5286.44,-151.52\"/>\n",
-       "<text text-anchor=\"middle\" x=\"5335.49\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasElement</text>\n",
+       "<title>sample_2_CrystalStructure&#45;&gt;d7cde4e6&#45;63cc&#45;4426&#45;bac3&#45;1daeb37fbd4f</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M6024.5,-199.96C6020.44,-208.25 6015.5,-218.28 6010.99,-227.25 6009.77,-229.67 6008.5,-232.18 6007.22,-234.7\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"6004.16,-232.99 6002.72,-243.49 6010.39,-236.18 6004.16,-232.99\"/>\n",
+       "<text text-anchor=\"middle\" x=\"6050.24\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasAltName</text>\n",
        "</g>\n",
-       "<!-- cmso.Atom -->\n",
-       "<g id=\"node36\" class=\"node\">\n",
-       "<title>cmso.Atom</title>\n",
-       "<polygon fill=\"#ffffcc\" stroke=\"#ffffcc\" points=\"5674.74,-199.5 5615.24,-199.5 5615.24,-163.5 5674.74,-163.5 5674.74,-199.5\"/>\n",
-       "<text text-anchor=\"middle\" x=\"5644.99\" y=\"-178.78\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.Atom</text>\n",
+       "<!-- sample_2_CrystalStructure&#45;&gt;cmso.CrystalStructure -->\n",
+       "<g id=\"edge34\" class=\"edge\">\n",
+       "<title>sample_2_CrystalStructure&#45;&gt;cmso.CrystalStructure</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M5971.29,-198.23C5968.49,-198.71 5965.72,-199.14 5962.99,-199.5 5666.29,-239.04 5587.05,-182.81 5289.74,-217.5 5268.66,-219.96 5264.05,-224.56 5242.99,-227.25 5082.33,-247.76 5036.42,-220.43 4872.55,-245.27\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"4872.42,-241.75 4863.08,-246.75 4873.5,-248.67 4872.42,-241.75\"/>\n",
+       "<text text-anchor=\"middle\" x=\"5297.62\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">type</text>\n",
        "</g>\n",
-       "<!-- Atom_2_2&#45;&gt;cmso.Atom -->\n",
-       "<g id=\"edge39\" class=\"edge\">\n",
-       "<title>Atom_2_2&#45;&gt;cmso.Atom</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M5401.7,-102.89C5454.13,-107.29 5565.71,-118.42 5599.99,-135.75 5609.38,-140.5 5618.02,-147.93 5625.17,-155.38\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"5622.03,-157.23 5631.31,-162.35 5627.25,-152.56 5622.03,-157.23\"/>\n",
-       "<text text-anchor=\"middle\" x=\"5623.62\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">type</text>\n",
+       "<!-- sample_2_UnitCell -->\n",
+       "<g id=\"node55\" class=\"node\">\n",
+       "<title>sample_2_UnitCell</title>\n",
+       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"6143.37,-281.25 6054.62,-281.25 6054.62,-245.25 6143.37,-245.25 6143.37,-281.25\"/>\n",
+       "<text text-anchor=\"middle\" x=\"6098.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">sample_2_UnitCell</text>\n",
        "</g>\n",
-       "<!-- a1c1a427&#45;d444&#45;48e3&#45;846b&#45;bf48281aacaf -->\n",
-       "<g id=\"node66\" class=\"node\">\n",
-       "<title>a1c1a427&#45;d444&#45;48e3&#45;846b&#45;bf48281aacaf</title>\n",
-       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"5401.98,-199.5 5357.46,-199.5 5346,-163.5 5390.53,-163.5 5401.98,-199.5\"/>\n",
-       "<text text-anchor=\"middle\" x=\"5373.99\" y=\"-178.78\" font-family=\"Times,serif\" font-size=\"8.00\">4</text>\n",
+       "<!-- sample_2_CrystalStructure&#45;&gt;sample_2_UnitCell -->\n",
+       "<g id=\"edge31\" class=\"edge\">\n",
+       "<title>sample_2_CrystalStructure&#45;&gt;sample_2_UnitCell</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M6071.29,-199.93C6078.42,-204.72 6085.14,-210.55 6089.99,-217.5 6093.28,-222.21 6095.42,-227.83 6096.81,-233.48\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"6093.36,-234.05 6098.47,-243.33 6100.26,-232.88 6093.36,-234.05\"/>\n",
+       "<text text-anchor=\"middle\" x=\"6128.12\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasUnitCell</text>\n",
        "</g>\n",
-       "<!-- Atom_2_2&#45;&gt;a1c1a427&#45;d444&#45;48e3&#45;846b&#45;bf48281aacaf -->\n",
-       "<g id=\"edge46\" class=\"edge\">\n",
-       "<title>Atom_2_2&#45;&gt;a1c1a427&#45;d444&#45;48e3&#45;846b&#45;bf48281aacaf</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M5373.99,-118.05C5373.99,-128.09 5373.99,-140.96 5373.99,-152.41\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"5370.49,-152.23 5373.99,-162.23 5377.49,-152.23 5370.49,-152.23\"/>\n",
-       "<text text-anchor=\"middle\" x=\"5433.99\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasCoordinationNumber</text>\n",
+       "<!-- 9cf31b97&#45;221f&#45;4f16&#45;9934&#45;951116c93f2b -->\n",
+       "<g id=\"node131\" class=\"node\">\n",
+       "<title>9cf31b97&#45;221f&#45;4f16&#45;9934&#45;951116c93f2b</title>\n",
+       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"5740.98,-281.25 5696.46,-281.25 5685,-245.25 5729.53,-245.25 5740.98,-281.25\"/>\n",
+       "<text text-anchor=\"middle\" x=\"5712.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">227</text>\n",
        "</g>\n",
-       "<!-- Atom_2_2_Position -->\n",
-       "<g id=\"node174\" class=\"node\">\n",
-       "<title>Atom_2_2_Position</title>\n",
-       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"5561.74,-199.5 5472.24,-199.5 5472.24,-163.5 5561.74,-163.5 5561.74,-199.5\"/>\n",
-       "<text text-anchor=\"middle\" x=\"5516.99\" y=\"-178.78\" font-family=\"Times,serif\" font-size=\"8.00\">Atom_2_2_Position</text>\n",
+       "<!-- sample_2_CrystalStructure&#45;&gt;9cf31b97&#45;221f&#45;4f16&#45;9934&#45;951116c93f2b -->\n",
+       "<g id=\"edge132\" class=\"edge\">\n",
+       "<title>sample_2_CrystalStructure&#45;&gt;9cf31b97&#45;221f&#45;4f16&#45;9934&#45;951116c93f2b</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M5971.27,-198.08C5968.48,-198.6 5965.71,-199.07 5962.99,-199.5 5935.64,-203.78 5733.68,-197.55 5714.49,-217.5 5710.35,-221.8 5708.56,-227.55 5708.08,-233.49\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"5704.58,-233.44 5708.45,-243.3 5711.58,-233.18 5704.58,-233.44\"/>\n",
+       "<text text-anchor=\"middle\" x=\"5773.24\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasSpaceGroupNumber</text>\n",
        "</g>\n",
-       "<!-- Atom_2_2&#45;&gt;Atom_2_2_Position -->\n",
-       "<g id=\"edge217\" class=\"edge\">\n",
-       "<title>Atom_2_2&#45;&gt;Atom_2_2_Position</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M5401.97,-102.45C5428.63,-105.42 5468.52,-113.55 5494.99,-135.75 5500.48,-140.35 5504.71,-146.65 5507.94,-153.06\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"5505.05,-154.21 5512.2,-162.02 5511.48,-151.45 5505.05,-154.21\"/>\n",
-       "<text text-anchor=\"middle\" x=\"5550.12\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasPositionVector</text>\n",
+       "<!-- 4b3fce3e&#45;f4f2&#45;47cd&#45;baa3&#45;860d17561044 -->\n",
+       "<g id=\"node160\" class=\"node\">\n",
+       "<title>4b3fce3e&#45;f4f2&#45;47cd&#45;baa3&#45;860d17561044</title>\n",
+       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"5931.23,-281.25 5873.59,-281.25 5858.76,-245.25 5916.4,-245.25 5931.23,-281.25\"/>\n",
+       "<text text-anchor=\"middle\" x=\"5894.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">Fd&#45;3M</text>\n",
        "</g>\n",
-       "<!-- cmso.Element -->\n",
-       "<g id=\"node69\" class=\"node\">\n",
-       "<title>cmso.Element</title>\n",
-       "<polygon fill=\"#ffffcc\" stroke=\"#ffffcc\" points=\"5580.74,-281.25 5509.24,-281.25 5509.24,-245.25 5580.74,-245.25 5580.74,-281.25\"/>\n",
-       "<text text-anchor=\"middle\" x=\"5544.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.Element</text>\n",
+       "<!-- sample_2_CrystalStructure&#45;&gt;4b3fce3e&#45;f4f2&#45;47cd&#45;baa3&#45;860d17561044 -->\n",
+       "<g id=\"edge180\" class=\"edge\">\n",
+       "<title>sample_2_CrystalStructure&#45;&gt;4b3fce3e&#45;f4f2&#45;47cd&#45;baa3&#45;860d17561044</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M5971.47,-197.58C5933.75,-206.86 5892.58,-217.07 5892.24,-217.5 5888.62,-222.13 5887.38,-227.93 5887.42,-233.8\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"5883.91,-233.9 5888.62,-243.39 5890.85,-233.03 5883.91,-233.9\"/>\n",
+       "<text text-anchor=\"middle\" x=\"5949.37\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasSpaceGroupSymbol</text>\n",
        "</g>\n",
-       "<!-- Atom_2_2_Element&#45;&gt;cmso.Element -->\n",
-       "<g id=\"edge117\" class=\"edge\">\n",
-       "<title>Atom_2_2_Element&#45;&gt;cmso.Element</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M5328.33,-197.57C5331.24,-198.29 5334.15,-198.94 5336.99,-199.5 5380.99,-208.17 5505.26,-186.85 5537.99,-217.5 5542.7,-221.91 5545.11,-228.08 5546.21,-234.44\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"5542.77,-234.32 5547,-244.03 5549.75,-233.8 5542.77,-234.32\"/>\n",
-       "<text text-anchor=\"middle\" x=\"5552.62\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">type</text>\n",
-       "</g>\n",
-       "<!-- ace7dd1f&#45;a2a7&#45;4ef6&#45;b4a2&#45;0ee402e6727f -->\n",
-       "<g id=\"node198\" class=\"node\">\n",
-       "<title>ace7dd1f&#45;a2a7&#45;4ef6&#45;b4a2&#45;0ee402e6727f</title>\n",
-       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"5193.98,-281.25 5149.46,-281.25 5138,-245.25 5182.53,-245.25 5193.98,-281.25\"/>\n",
-       "<text text-anchor=\"middle\" x=\"5165.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">Si</text>\n",
-       "</g>\n",
-       "<!-- Atom_2_2_Element&#45;&gt;ace7dd1f&#45;a2a7&#45;4ef6&#45;b4a2&#45;0ee402e6727f -->\n",
-       "<g id=\"edge214\" class=\"edge\">\n",
-       "<title>Atom_2_2_Element&#45;&gt;ace7dd1f&#45;a2a7&#45;4ef6&#45;b4a2&#45;0ee402e6727f</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M5235.88,-184.06C5211.23,-187.52 5182.74,-196.3 5166.74,-217.5 5163.12,-222.31 5161.62,-228.31 5161.29,-234.33\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"5157.82,-234.13 5161.76,-243.96 5164.81,-233.82 5157.82,-234.13\"/>\n",
-       "<text text-anchor=\"middle\" x=\"5199.62\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasSymbol</text>\n",
-       "</g>\n",
-       "<!-- UnitCell_1 -->\n",
+       "<!-- sample_1_LatticeParameter -->\n",
        "<g id=\"node9\" class=\"node\">\n",
-       "<title>UnitCell_1</title>\n",
-       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"14018.62,-281.25 13961.37,-281.25 13961.37,-245.25 14018.62,-245.25 14018.62,-281.25\"/>\n",
-       "<text text-anchor=\"middle\" x=\"13989.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">UnitCell_1</text>\n",
-       "</g>\n",
-       "<!-- UnitCell_1&#45;&gt;UnitCell_1LatticeAngle -->\n",
-       "<g id=\"edge299\" class=\"edge\">\n",
-       "<title>UnitCell_1&#45;&gt;UnitCell_1LatticeAngle</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M13960.94,-278.64C13957.97,-279.69 13954.96,-280.59 13951.99,-281.25 13810.87,-312.68 11494.54,-323.85 11349.99,-327 11133.78,-331.71 10877.46,-338.8 10759.85,-342.14\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"10759.8,-338.67 10749.91,-342.45 10760,-345.66 10759.8,-338.67\"/>\n",
-       "<text text-anchor=\"middle\" x=\"13563.62\" y=\"-301.4\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasAngle</text>\n",
-       "</g>\n",
-       "<!-- UnitCell_1LatticeParameter -->\n",
+       "<title>sample_1_LatticeParameter</title>\n",
+       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"2608.37,-363 2483.62,-363 2483.62,-327 2608.37,-327 2608.37,-363\"/>\n",
+       "<text text-anchor=\"middle\" x=\"2545.99\" y=\"-342.27\" font-family=\"Times,serif\" font-size=\"8.00\">sample_1_LatticeParameter</text>\n",
+       "</g>\n",
+       "<!-- acb3cd96&#45;5316&#45;478e&#45;8d36&#45;efd3c3b9e787 -->\n",
        "<g id=\"node10\" class=\"node\">\n",
-       "<title>UnitCell_1LatticeParameter</title>\n",
-       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"11484.74,-363 11359.24,-363 11359.24,-327 11484.74,-327 11484.74,-363\"/>\n",
-       "<text text-anchor=\"middle\" x=\"11421.99\" y=\"-342.27\" font-family=\"Times,serif\" font-size=\"8.00\">UnitCell_1LatticeParameter</text>\n",
+       "<title>acb3cd96&#45;5316&#45;478e&#45;8d36&#45;efd3c3b9e787</title>\n",
+       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"2478.64,-444.75 2433.07,-444.75 2421.34,-408.75 2466.92,-408.75 2478.64,-444.75\"/>\n",
+       "<text text-anchor=\"middle\" x=\"2449.99\" y=\"-424.02\" font-family=\"Times,serif\" font-size=\"8.00\">2.87</text>\n",
        "</g>\n",
-       "<!-- UnitCell_1&#45;&gt;UnitCell_1LatticeParameter -->\n",
+       "<!-- sample_1_LatticeParameter&#45;&gt;acb3cd96&#45;5316&#45;478e&#45;8d36&#45;efd3c3b9e787 -->\n",
        "<g id=\"edge5\" class=\"edge\">\n",
-       "<title>UnitCell_1&#45;&gt;UnitCell_1LatticeParameter</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M13960.93,-278.62C13957.96,-279.67 13954.95,-280.58 13951.99,-281.25 13707.41,-336.64 11886.87,-343.14 11495.83,-343.9\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"11495.94,-340.4 11485.95,-343.92 11495.96,-347.4 11495.94,-340.4\"/>\n",
-       "<text text-anchor=\"middle\" x=\"13823.87\" y=\"-301.4\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasLatticeParamter</text>\n",
-       "</g>\n",
-       "<!-- wiki.Q851536 -->\n",
-       "<g id=\"node59\" class=\"node\">\n",
-       "<title>wiki.Q851536</title>\n",
-       "<polygon fill=\"#ffffcc\" stroke=\"#ffffcc\" points=\"14026.12,-363 13953.87,-363 13953.87,-327 14026.12,-327 14026.12,-363\"/>\n",
-       "<text text-anchor=\"middle\" x=\"13989.99\" y=\"-342.27\" font-family=\"Times,serif\" font-size=\"8.00\">wiki.Q851536</text>\n",
-       "</g>\n",
-       "<!-- UnitCell_1&#45;&gt;wiki.Q851536 -->\n",
-       "<g id=\"edge40\" class=\"edge\">\n",
-       "<title>UnitCell_1&#45;&gt;wiki.Q851536</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M13989.99,-281.55C13989.99,-291.59 13989.99,-304.46 13989.99,-315.91\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"13986.49,-315.73 13989.99,-325.73 13993.49,-315.73 13986.49,-315.73\"/>\n",
-       "<text text-anchor=\"middle\" x=\"14036.12\" y=\"-301.4\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasBravaisLattice</text>\n",
-       "</g>\n",
-       "<!-- cmso.UnitCell -->\n",
-       "<g id=\"node161\" class=\"node\">\n",
-       "<title>cmso.UnitCell</title>\n",
-       "<polygon fill=\"#ffffcc\" stroke=\"#ffffcc\" points=\"8325.37,-363 8254.62,-363 8254.62,-327 8325.37,-327 8325.37,-363\"/>\n",
-       "<text text-anchor=\"middle\" x=\"8289.99\" y=\"-342.27\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.UnitCell</text>\n",
-       "</g>\n",
-       "<!-- UnitCell_1&#45;&gt;cmso.UnitCell -->\n",
-       "<g id=\"edge202\" class=\"edge\">\n",
-       "<title>UnitCell_1&#45;&gt;cmso.UnitCell</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M13960.94,-278.67C13957.97,-279.71 13954.96,-280.6 13951.99,-281.25 13885.35,-295.8 9109.19,-325.91 9040.99,-327 8774.13,-331.26 8454,-339.57 8336.31,-342.74\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"8336.46,-339.26 8326.56,-343.03 8336.65,-346.26 8336.46,-339.26\"/>\n",
-       "<text text-anchor=\"middle\" x=\"12628.62\" y=\"-301.4\" font-family=\"Times,serif\" font-size=\"8.00\">type</text>\n",
+       "<title>sample_1_LatticeParameter&#45;&gt;acb3cd96&#45;5316&#45;478e&#45;8d36&#45;efd3c3b9e787</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M2493.88,-363.39C2484.89,-368.08 2476.21,-373.88 2469.24,-381 2464.66,-385.68 2461.09,-391.63 2458.33,-397.65\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"2455.1,-396.3 2454.76,-406.89 2461.63,-398.83 2455.1,-396.3\"/>\n",
+       "<text text-anchor=\"middle\" x=\"2506.37\" y=\"-383.15\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasLength_x</text>\n",
        "</g>\n",
        "<!-- cmso.LatticeParameter -->\n",
-       "<g id=\"node61\" class=\"node\">\n",
+       "<g id=\"node35\" class=\"node\">\n",
        "<title>cmso.LatticeParameter</title>\n",
-       "<polygon fill=\"#ffffcc\" stroke=\"#ffffcc\" points=\"9602.37,-444.75 9495.62,-444.75 9495.62,-408.75 9602.37,-408.75 9602.37,-444.75\"/>\n",
-       "<text text-anchor=\"middle\" x=\"9548.99\" y=\"-424.02\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.LatticeParameter</text>\n",
+       "<polygon fill=\"#ffffcc\" stroke=\"#ffffcc\" points=\"4793.37,-444.75 4686.62,-444.75 4686.62,-408.75 4793.37,-408.75 4793.37,-444.75\"/>\n",
+       "<text text-anchor=\"middle\" x=\"4739.99\" y=\"-424.02\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.LatticeParameter</text>\n",
        "</g>\n",
-       "<!-- UnitCell_1LatticeParameter&#45;&gt;cmso.LatticeParameter -->\n",
-       "<g id=\"edge275\" class=\"edge\">\n",
-       "<title>UnitCell_1LatticeParameter&#45;&gt;cmso.LatticeParameter</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M11358.75,-347.43C11203.22,-351.19 10805.24,-362.36 10673.74,-381 10655.3,-383.61 10651.45,-388.27 10632.99,-390.75 10434.17,-417.46 9815.34,-423.96 9613.42,-425.38\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"9613.68,-421.89 9603.7,-425.45 9613.73,-428.89 9613.68,-421.89\"/>\n",
-       "<text text-anchor=\"middle\" x=\"10682.62\" y=\"-383.15\" font-family=\"Times,serif\" font-size=\"8.00\">type</text>\n",
+       "<!-- sample_1_LatticeParameter&#45;&gt;cmso.LatticeParameter -->\n",
+       "<g id=\"edge19\" class=\"edge\">\n",
+       "<title>sample_1_LatticeParameter&#45;&gt;cmso.LatticeParameter</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M2608.65,-347.67C2730.97,-350.89 3010.15,-358.08 3244.99,-363 3472.98,-367.77 4044.77,-352.3 4270.99,-381 4289.47,-383.34 4293.31,-388.11 4311.74,-390.75 4469.45,-413.29 4515.02,-384.4 4675.16,-408.53\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"4674.47,-411.97 4684.89,-410.05 4675.54,-405.05 4674.47,-411.97\"/>\n",
+       "<text text-anchor=\"middle\" x=\"4320.62\" y=\"-383.15\" font-family=\"Times,serif\" font-size=\"8.00\">type</text>\n",
        "</g>\n",
-       "<!-- e2a1d0a7&#45;f1e7&#45;4a01&#45;8ea7&#45;1097d3a0dd9a -->\n",
-       "<g id=\"node166\" class=\"node\">\n",
-       "<title>e2a1d0a7&#45;f1e7&#45;4a01&#45;8ea7&#45;1097d3a0dd9a</title>\n",
-       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"11450.64,-444.75 11405.07,-444.75 11393.34,-408.75 11438.92,-408.75 11450.64,-444.75\"/>\n",
-       "<text text-anchor=\"middle\" x=\"11421.99\" y=\"-424.02\" font-family=\"Times,serif\" font-size=\"8.00\">2.87</text>\n",
+       "<!-- 1c5b33a3&#45;be30&#45;4206&#45;ae1e&#45;aa0fb141199f -->\n",
+       "<g id=\"node96\" class=\"node\">\n",
+       "<title>1c5b33a3&#45;be30&#45;4206&#45;ae1e&#45;aa0fb141199f</title>\n",
+       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"2574.64,-444.75 2529.07,-444.75 2517.34,-408.75 2562.92,-408.75 2574.64,-444.75\"/>\n",
+       "<text text-anchor=\"middle\" x=\"2545.99\" y=\"-424.02\" font-family=\"Times,serif\" font-size=\"8.00\">2.87</text>\n",
        "</g>\n",
-       "<!-- UnitCell_1LatticeParameter&#45;&gt;e2a1d0a7&#45;f1e7&#45;4a01&#45;8ea7&#45;1097d3a0dd9a -->\n",
-       "<g id=\"edge164\" class=\"edge\">\n",
-       "<title>UnitCell_1LatticeParameter&#45;&gt;e2a1d0a7&#45;f1e7&#45;4a01&#45;8ea7&#45;1097d3a0dd9a</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M11421.99,-363.3C11421.99,-373.34 11421.99,-386.21 11421.99,-397.66\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"11418.49,-397.48 11421.99,-407.48 11425.49,-397.48 11418.49,-397.48\"/>\n",
-       "<text text-anchor=\"middle\" x=\"11458.37\" y=\"-383.15\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasLength_z</text>\n",
+       "<!-- sample_1_LatticeParameter&#45;&gt;1c5b33a3&#45;be30&#45;4206&#45;ae1e&#45;aa0fb141199f -->\n",
+       "<g id=\"edge70\" class=\"edge\">\n",
+       "<title>sample_1_LatticeParameter&#45;&gt;1c5b33a3&#45;be30&#45;4206&#45;ae1e&#45;aa0fb141199f</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M2545.99,-363.3C2545.99,-373.23 2545.99,-385.94 2545.99,-397.3\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"2542.49,-396.97 2545.99,-406.97 2549.49,-396.97 2542.49,-396.97\"/>\n",
+       "<text text-anchor=\"middle\" x=\"2582.37\" y=\"-383.15\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasLength_z</text>\n",
        "</g>\n",
-       "<!-- 23bda42e&#45;8eee&#45;4919&#45;a473&#45;df2af35046b5 -->\n",
-       "<g id=\"node172\" class=\"node\">\n",
-       "<title>23bda42e&#45;8eee&#45;4919&#45;a473&#45;df2af35046b5</title>\n",
-       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"11546.64,-444.75 11501.07,-444.75 11489.34,-408.75 11534.92,-408.75 11546.64,-444.75\"/>\n",
-       "<text text-anchor=\"middle\" x=\"11517.99\" y=\"-424.02\" font-family=\"Times,serif\" font-size=\"8.00\">2.87</text>\n",
+       "<!-- 37720a49&#45;5652&#45;4200&#45;a29e&#45;be1e0e2a0708 -->\n",
+       "<g id=\"node157\" class=\"node\">\n",
+       "<title>37720a49&#45;5652&#45;4200&#45;a29e&#45;be1e0e2a0708</title>\n",
+       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"2670.64,-444.75 2625.07,-444.75 2613.34,-408.75 2658.92,-408.75 2670.64,-444.75\"/>\n",
+       "<text text-anchor=\"middle\" x=\"2641.99\" y=\"-424.02\" font-family=\"Times,serif\" font-size=\"8.00\">2.87</text>\n",
        "</g>\n",
-       "<!-- UnitCell_1LatticeParameter&#45;&gt;23bda42e&#45;8eee&#45;4919&#45;a473&#45;df2af35046b5 -->\n",
-       "<g id=\"edge175\" class=\"edge\">\n",
-       "<title>UnitCell_1LatticeParameter&#45;&gt;23bda42e&#45;8eee&#45;4919&#45;a473&#45;df2af35046b5</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M11470.81,-363.32C11479.91,-368.07 11488.8,-373.92 11495.99,-381 11501.01,-385.94 11505.06,-392.27 11508.25,-398.59\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"11505.32,-399.61 11512.58,-407.33 11511.72,-396.77 11505.32,-399.61\"/>\n",
-       "<text text-anchor=\"middle\" x=\"11540.37\" y=\"-383.15\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasLength_y</text>\n",
-       "</g>\n",
-       "<!-- a761e479&#45;cd62&#45;44d3&#45;8c96&#45;fdbe9922527b -->\n",
-       "<g id=\"node177\" class=\"node\">\n",
-       "<title>a761e479&#45;cd62&#45;44d3&#45;8c96&#45;fdbe9922527b</title>\n",
-       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"11354.64,-444.75 11309.07,-444.75 11297.34,-408.75 11342.92,-408.75 11354.64,-444.75\"/>\n",
-       "<text text-anchor=\"middle\" x=\"11325.99\" y=\"-424.02\" font-family=\"Times,serif\" font-size=\"8.00\">2.87</text>\n",
-       "</g>\n",
-       "<!-- UnitCell_1LatticeParameter&#45;&gt;a761e479&#45;cd62&#45;44d3&#45;8c96&#45;fdbe9922527b -->\n",
-       "<g id=\"edge183\" class=\"edge\">\n",
-       "<title>UnitCell_1LatticeParameter&#45;&gt;a761e479&#45;cd62&#45;44d3&#45;8c96&#45;fdbe9922527b</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M11369.88,-363.39C11360.89,-368.08 11352.21,-373.88 11345.24,-381 11340.54,-385.8 11336.91,-391.93 11334.13,-398.1\"/>\n",
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-       "<text text-anchor=\"middle\" x=\"11382.37\" y=\"-383.15\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasLength_x</text>\n",
+       "<!-- sample_1_LatticeParameter&#45;&gt;37720a49&#45;5652&#45;4200&#45;a29e&#45;be1e0e2a0708 -->\n",
+       "<g id=\"edge173\" class=\"edge\">\n",
+       "<title>sample_1_LatticeParameter&#45;&gt;37720a49&#45;5652&#45;4200&#45;a29e&#45;be1e0e2a0708</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M2594.81,-363.32C2603.91,-368.07 2612.8,-373.92 2619.99,-381 2624.89,-385.83 2628.87,-391.97 2632.02,-398.14\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"2628.69,-399.25 2635.96,-406.95 2635.08,-396.39 2628.69,-399.25\"/>\n",
+       "<text text-anchor=\"middle\" x=\"2664.37\" y=\"-383.15\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasLength_y</text>\n",
        "</g>\n",
-       "<!-- SimulationCell_1Angle -->\n",
+       "<!-- sample_3_UnitCell -->\n",
        "<g id=\"node11\" class=\"node\">\n",
-       "<title>SimulationCell_1Angle</title>\n",
-       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"12392.62,-199.5 12287.37,-199.5 12287.37,-163.5 12392.62,-163.5 12392.62,-199.5\"/>\n",
-       "<text text-anchor=\"middle\" x=\"12339.99\" y=\"-178.78\" font-family=\"Times,serif\" font-size=\"8.00\">SimulationCell_1Angle</text>\n",
+       "<title>sample_3_UnitCell</title>\n",
+       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"4968.37,-281.25 4879.62,-281.25 4879.62,-245.25 4968.37,-245.25 4968.37,-281.25\"/>\n",
+       "<text text-anchor=\"middle\" x=\"4923.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">sample_3_UnitCell</text>\n",
        "</g>\n",
-       "<!-- cmso.SimulationCellAngle -->\n",
+       "<!-- cmso.UnitCell -->\n",
        "<g id=\"node12\" class=\"node\">\n",
-       "<title>cmso.SimulationCellAngle</title>\n",
-       "<polygon fill=\"#ffffcc\" stroke=\"#ffffcc\" points=\"9633.37,-281.25 9514.62,-281.25 9514.62,-245.25 9633.37,-245.25 9633.37,-281.25\"/>\n",
-       "<text text-anchor=\"middle\" x=\"9573.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.SimulationCellAngle</text>\n",
+       "<title>cmso.UnitCell</title>\n",
+       "<polygon fill=\"#ffffcc\" stroke=\"#ffffcc\" points=\"4959.37,-363 4888.62,-363 4888.62,-327 4959.37,-327 4959.37,-363\"/>\n",
+       "<text text-anchor=\"middle\" x=\"4923.99\" y=\"-342.27\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.UnitCell</text>\n",
        "</g>\n",
-       "<!-- SimulationCell_1Angle&#45;&gt;cmso.SimulationCellAngle -->\n",
+       "<!-- sample_3_UnitCell&#45;&gt;cmso.UnitCell -->\n",
        "<g id=\"edge6\" class=\"edge\">\n",
-       "<title>SimulationCell_1Angle&#45;&gt;cmso.SimulationCellAngle</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M12287.12,-187.4C12242.17,-191.37 12175.91,-196.73 12117.99,-199.5 12014.06,-204.47 11282.57,-191.82 11181.74,-217.5 11172.64,-219.82 11172.1,-224.97 11162.99,-227.25 11083.35,-247.22 9801.54,-235.16 9644.37,-245.56\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"9644.19,-242.15 9634.55,-246.53 9644.82,-249.12 9644.19,-242.15\"/>\n",
-       "<text text-anchor=\"middle\" x=\"11190.62\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">type</text>\n",
+       "<title>sample_3_UnitCell&#45;&gt;cmso.UnitCell</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M4923.99,-281.55C4923.99,-291.48 4923.99,-304.19 4923.99,-315.55\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"4920.49,-315.22 4923.99,-325.22 4927.49,-315.22 4920.49,-315.22\"/>\n",
+       "<text text-anchor=\"middle\" x=\"4932.62\" y=\"-301.4\" font-family=\"Times,serif\" font-size=\"8.00\">type</text>\n",
        "</g>\n",
-       "<!-- 25bee651&#45;7955&#45;4a5e&#45;aec1&#45;2d031b6bba01 -->\n",
-       "<g id=\"node116\" class=\"node\">\n",
-       "<title>25bee651&#45;7955&#45;4a5e&#45;aec1&#45;2d031b6bba01</title>\n",
-       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"12537.64,-281.25 12492.07,-281.25 12480.34,-245.25 12525.92,-245.25 12537.64,-281.25\"/>\n",
-       "<text text-anchor=\"middle\" x=\"12508.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">90.0</text>\n",
+       "<!-- sample_3_LatticeAngle -->\n",
+       "<g id=\"node82\" class=\"node\">\n",
+       "<title>sample_3_LatticeAngle</title>\n",
+       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"4386.37,-363 4279.62,-363 4279.62,-327 4386.37,-327 4386.37,-363\"/>\n",
+       "<text text-anchor=\"middle\" x=\"4332.99\" y=\"-342.27\" font-family=\"Times,serif\" font-size=\"8.00\">sample_3_LatticeAngle</text>\n",
        "</g>\n",
-       "<!-- SimulationCell_1Angle&#45;&gt;25bee651&#45;7955&#45;4a5e&#45;aec1&#45;2d031b6bba01 -->\n",
-       "<g id=\"edge93\" class=\"edge\">\n",
-       "<title>SimulationCell_1Angle&#45;&gt;25bee651&#45;7955&#45;4a5e&#45;aec1&#45;2d031b6bba01</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M12393.01,-188.56C12418.74,-193.39 12449.15,-202.04 12472.99,-217.5 12480.52,-222.38 12487.21,-229.36 12492.71,-236.36\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"12490.32,-238.04 12499.02,-244.08 12495.99,-233.93 12490.32,-238.04\"/>\n",
-       "<text text-anchor=\"middle\" x=\"12523.12\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasAngle_beta</text>\n",
+       "<!-- sample_3_UnitCell&#45;&gt;sample_3_LatticeAngle -->\n",
+       "<g id=\"edge147\" class=\"edge\">\n",
+       "<title>sample_3_UnitCell&#45;&gt;sample_3_LatticeAngle</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M4879.38,-279.01C4876.22,-279.83 4873.07,-280.59 4869.99,-281.25 4824.73,-290.93 4530.41,-322.95 4397.7,-337.13\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"4397.6,-333.62 4388.03,-338.17 4398.34,-340.58 4397.6,-333.62\"/>\n",
+       "<text text-anchor=\"middle\" x=\"4758.62\" y=\"-301.4\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasAngle</text>\n",
        "</g>\n",
-       "<!-- 4ea1020a&#45;0b0a&#45;4967&#45;b8d4&#45;322e1afa9614 -->\n",
-       "<g id=\"node169\" class=\"node\">\n",
-       "<title>4ea1020a&#45;0b0a&#45;4967&#45;b8d4&#45;322e1afa9614</title>\n",
-       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"12314.64,-281.25 12269.07,-281.25 12257.34,-245.25 12302.92,-245.25 12314.64,-281.25\"/>\n",
-       "<text text-anchor=\"middle\" x=\"12285.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">90.0</text>\n",
+       "<!-- sample_3_LatticeParameter -->\n",
+       "<g id=\"node87\" class=\"node\">\n",
+       "<title>sample_3_LatticeParameter</title>\n",
+       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"4801.37,-363 4676.62,-363 4676.62,-327 4801.37,-327 4801.37,-363\"/>\n",
+       "<text text-anchor=\"middle\" x=\"4738.99\" y=\"-342.27\" font-family=\"Times,serif\" font-size=\"8.00\">sample_3_LatticeParameter</text>\n",
        "</g>\n",
-       "<!-- SimulationCell_1Angle&#45;&gt;4ea1020a&#45;0b0a&#45;4967&#45;b8d4&#45;322e1afa9614 -->\n",
-       "<g id=\"edge170\" class=\"edge\">\n",
-       "<title>SimulationCell_1Angle&#45;&gt;4ea1020a&#45;0b0a&#45;4967&#45;b8d4&#45;322e1afa9614</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M12303.63,-199.83C12297.1,-204.62 12291.13,-210.48 12287.24,-217.5 12284.44,-222.55 12283.16,-228.44 12282.75,-234.26\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"12279.26,-234.16 12282.88,-244.12 12286.26,-234.08 12279.26,-234.16\"/>\n",
-       "<text text-anchor=\"middle\" x=\"12329.37\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasAngle_alpha</text>\n",
-       "</g>\n",
-       "<!-- b2d9b5d4&#45;3217&#45;419e&#45;bf2a&#45;2fac09b6814e -->\n",
-       "<g id=\"node235\" class=\"node\">\n",
-       "<title>b2d9b5d4&#45;3217&#45;419e&#45;bf2a&#45;2fac09b6814e</title>\n",
-       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"12422.64,-281.25 12377.07,-281.25 12365.34,-245.25 12410.92,-245.25 12422.64,-281.25\"/>\n",
-       "<text text-anchor=\"middle\" x=\"12393.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">90.0</text>\n",
-       "</g>\n",
-       "<!-- SimulationCell_1Angle&#45;&gt;b2d9b5d4&#45;3217&#45;419e&#45;bf2a&#45;2fac09b6814e -->\n",
-       "<g id=\"edge276\" class=\"edge\">\n",
-       "<title>SimulationCell_1Angle&#45;&gt;b2d9b5d4&#45;3217&#45;419e&#45;bf2a&#45;2fac09b6814e</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M12357.64,-199.84C12362.62,-205.24 12367.82,-211.38 12371.99,-217.5 12375.74,-223 12379.23,-229.23 12382.26,-235.26\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"12379.46,-236.52 12386.92,-244.05 12385.78,-233.51 12379.46,-236.52\"/>\n",
-       "<text text-anchor=\"middle\" x=\"12423.12\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasAngle_gamma</text>\n",
+       "<!-- sample_3_UnitCell&#45;&gt;sample_3_LatticeParameter -->\n",
+       "<g id=\"edge149\" class=\"edge\">\n",
+       "<title>sample_3_UnitCell&#45;&gt;sample_3_LatticeParameter</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M4879.38,-278.43C4856.51,-285.87 4831.2,-294.43 4820.24,-299.25 4805.91,-305.55 4790.75,-313.52 4777.45,-320.98\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"4775.95,-317.81 4769,-325.8 4779.42,-323.89 4775.95,-317.81\"/>\n",
+       "<text text-anchor=\"middle\" x=\"4870.87\" y=\"-301.4\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasLatticeParamter</text>\n",
        "</g>\n",
-       "<!-- cmso.SimulationCellAngle&#45;&gt;cmso.Angle -->\n",
-       "<g id=\"edge147\" class=\"edge\">\n",
-       "<title>cmso.SimulationCellAngle&#45;&gt;cmso.Angle</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M9551.55,-281.74C9496.69,-324.52 9355.65,-434.48 9292.9,-483.4\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"9290.96,-481.26 9285.23,-490.16 9295.27,-486.78 9290.96,-481.26\"/>\n",
-       "<text text-anchor=\"middle\" x=\"9444.12\" y=\"-383.15\" font-family=\"Times,serif\" font-size=\"8.00\">subClassOf</text>\n",
+       "<!-- wiki.Q3006714 -->\n",
+       "<g id=\"node109\" class=\"node\">\n",
+       "<title>wiki.Q3006714</title>\n",
+       "<polygon fill=\"#ffffcc\" stroke=\"#ffffcc\" points=\"5369.74,-363 5292.24,-363 5292.24,-327 5369.74,-327 5369.74,-363\"/>\n",
+       "<text text-anchor=\"middle\" x=\"5330.99\" y=\"-342.27\" font-family=\"Times,serif\" font-size=\"8.00\">wiki.Q3006714</text>\n",
+       "</g>\n",
+       "<!-- sample_3_UnitCell&#45;&gt;wiki.Q3006714 -->\n",
+       "<g id=\"edge188\" class=\"edge\">\n",
+       "<title>sample_3_UnitCell&#45;&gt;wiki.Q3006714</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M4968.71,-273.01C5045.18,-288 5200.53,-318.44 5280.67,-334.14\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"5279.96,-337.57 5290.44,-336.05 5281.3,-330.7 5279.96,-337.57\"/>\n",
+       "<text text-anchor=\"middle\" x=\"5197.12\" y=\"-301.4\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasBravaisLattice</text>\n",
        "</g>\n",
-       "<!-- Atom_2_7_Position -->\n",
+       "<!-- sample_2_SimulationCellVector_3 -->\n",
        "<g id=\"node13\" class=\"node\">\n",
-       "<title>Atom_2_7_Position</title>\n",
-       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"4896.74,-199.5 4807.24,-199.5 4807.24,-163.5 4896.74,-163.5 4896.74,-199.5\"/>\n",
-       "<text text-anchor=\"middle\" x=\"4851.99\" y=\"-178.78\" font-family=\"Times,serif\" font-size=\"8.00\">Atom_2_7_Position</text>\n",
+       "<title>sample_2_SimulationCellVector_3</title>\n",
+       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"7034.99,-199.5 6886.99,-199.5 6886.99,-163.5 7034.99,-163.5 7034.99,-199.5\"/>\n",
+       "<text text-anchor=\"middle\" x=\"6960.99\" y=\"-178.78\" font-family=\"Times,serif\" font-size=\"8.00\">sample_2_SimulationCellVector_3</text>\n",
        "</g>\n",
-       "<!-- cmso.PositionVector -->\n",
+       "<!-- cmso.SimulationCellVector -->\n",
        "<g id=\"node14\" class=\"node\">\n",
-       "<title>cmso.PositionVector</title>\n",
-       "<polygon fill=\"#ffffcc\" stroke=\"#ffffcc\" points=\"5827.37,-281.25 5732.62,-281.25 5732.62,-245.25 5827.37,-245.25 5827.37,-281.25\"/>\n",
-       "<text text-anchor=\"middle\" x=\"5779.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.PositionVector</text>\n",
+       "<title>cmso.SimulationCellVector</title>\n",
+       "<polygon fill=\"#ffffcc\" stroke=\"#ffffcc\" points=\"3159.49,-281.25 3038.49,-281.25 3038.49,-245.25 3159.49,-245.25 3159.49,-281.25\"/>\n",
+       "<text text-anchor=\"middle\" x=\"3098.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.SimulationCellVector</text>\n",
        "</g>\n",
-       "<!-- Atom_2_7_Position&#45;&gt;cmso.PositionVector -->\n",
+       "<!-- sample_2_SimulationCellVector_3&#45;&gt;cmso.SimulationCellVector -->\n",
        "<g id=\"edge7\" class=\"edge\">\n",
-       "<title>Atom_2_7_Position&#45;&gt;cmso.PositionVector</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M4897.13,-193.71C4907.84,-195.99 4919.27,-198.11 4929.99,-199.5 5021.53,-211.37 5255.82,-193.64 5344.99,-217.5 5354.07,-219.93 5354.69,-224.76 5363.74,-227.25 5496.91,-263.92 5536.68,-230.29 5673.99,-245.25 5689.57,-246.95 5706.36,-249.36 5721.87,-251.84\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"5720.94,-255.4 5731.38,-253.56 5722.07,-248.49 5720.94,-255.4\"/>\n",
-       "<text text-anchor=\"middle\" x=\"5372.62\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">type</text>\n",
+       "<title>sample_2_SimulationCellVector_3&#45;&gt;cmso.SimulationCellVector</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M6886.89,-198.38C6883.89,-198.8 6880.92,-199.18 6877.99,-199.5 6654.59,-224.15 6088.99,-184.02 5866.74,-217.5 5851.3,-219.83 5848.44,-225.01 5832.99,-227.25 5543.37,-269.24 3510.29,-210 3171.14,-245.16\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"3170.84,-241.67 3161.3,-246.28 3171.64,-248.62 3170.84,-241.67\"/>\n",
+       "<text text-anchor=\"middle\" x=\"5874.62\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">type</text>\n",
        "</g>\n",
-       "<!-- 076ac7ec&#45;ba50&#45;4609&#45;be9a&#45;5d28b456dd5c -->\n",
-       "<g id=\"node74\" class=\"node\">\n",
-       "<title>076ac7ec&#45;ba50&#45;4609&#45;be9a&#45;5d28b456dd5c</title>\n",
-       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"4889.49,-281.25 4829.84,-281.25 4814.49,-245.25 4874.14,-245.25 4889.49,-281.25\"/>\n",
-       "<text text-anchor=\"middle\" x=\"4851.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">1.3575</text>\n",
+       "<!-- 19d45b72&#45;a4cf&#45;42c8&#45;bc42&#45;61b20a638895 -->\n",
+       "<g id=\"node17\" class=\"node\">\n",
+       "<title>19d45b72&#45;a4cf&#45;42c8&#45;bc42&#45;61b20a638895</title>\n",
+       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"6639.64,-281.25 6594.07,-281.25 6582.34,-245.25 6627.92,-245.25 6639.64,-281.25\"/>\n",
+       "<text text-anchor=\"middle\" x=\"6610.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">5.43</text>\n",
        "</g>\n",
-       "<!-- Atom_2_7_Position&#45;&gt;076ac7ec&#45;ba50&#45;4609&#45;be9a&#45;5d28b456dd5c -->\n",
-       "<g id=\"edge55\" class=\"edge\">\n",
-       "<title>Atom_2_7_Position&#45;&gt;076ac7ec&#45;ba50&#45;4609&#45;be9a&#45;5d28b456dd5c</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M4851.99,-199.8C4851.99,-209.84 4851.99,-222.71 4851.99,-234.16\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"4848.49,-233.98 4851.99,-243.98 4855.49,-233.98 4848.49,-233.98\"/>\n",
-       "<text text-anchor=\"middle\" x=\"4896.99\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasComponent_x</text>\n",
-       "</g>\n",
-       "<!-- 193b3d81&#45;27e0&#45;425e&#45;98ad&#45;37962f2a9acc -->\n",
-       "<g id=\"node176\" class=\"node\">\n",
-       "<title>193b3d81&#45;27e0&#45;425e&#45;98ad&#45;37962f2a9acc</title>\n",
-       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"5002.49,-281.25 4942.84,-281.25 4927.49,-245.25 4987.14,-245.25 5002.49,-281.25\"/>\n",
-       "<text text-anchor=\"middle\" x=\"4964.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">4.0725</text>\n",
-       "</g>\n",
-       "<!-- Atom_2_7_Position&#45;&gt;193b3d81&#45;27e0&#45;425e&#45;98ad&#45;37962f2a9acc -->\n",
-       "<g id=\"edge181\" class=\"edge\">\n",
-       "<title>Atom_2_7_Position&#45;&gt;193b3d81&#45;27e0&#45;425e&#45;98ad&#45;37962f2a9acc</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M4896.86,-192.46C4912.88,-197.77 4930.12,-205.74 4942.99,-217.5 4948.28,-222.33 4952.44,-228.71 4955.66,-235.13\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"4952.77,-236.26 4959.96,-244.04 4959.19,-233.48 4952.77,-236.26\"/>\n",
-       "<text text-anchor=\"middle\" x=\"4995.99\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasComponent_z</text>\n",
-       "</g>\n",
-       "<!-- a1b22bb6&#45;4786&#45;48a9&#45;91b8&#45;ac48f08ec948 -->\n",
-       "<g id=\"node251\" class=\"node\">\n",
-       "<title>a1b22bb6&#45;4786&#45;48a9&#45;91b8&#45;ac48f08ec948</title>\n",
-       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"4736.49,-281.25 4676.84,-281.25 4661.49,-245.25 4721.14,-245.25 4736.49,-281.25\"/>\n",
-       "<text text-anchor=\"middle\" x=\"4698.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">4.0725</text>\n",
-       "</g>\n",
-       "<!-- Atom_2_7_Position&#45;&gt;a1b22bb6&#45;4786&#45;48a9&#45;91b8&#45;ac48f08ec948 -->\n",
-       "<g id=\"edge317\" class=\"edge\">\n",
-       "<title>Atom_2_7_Position&#45;&gt;a1b22bb6&#45;4786&#45;48a9&#45;91b8&#45;ac48f08ec948</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M4806.78,-190.03C4764.5,-197.53 4706.83,-209.1 4699.99,-217.5 4696.19,-222.17 4694.6,-228.11 4694.23,-234.13\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"4690.76,-233.94 4694.66,-243.79 4697.75,-233.65 4690.76,-233.94\"/>\n",
-       "<text text-anchor=\"middle\" x=\"4744.99\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasComponent_y</text>\n",
+       "<!-- sample_2_SimulationCellVector_3&#45;&gt;19d45b72&#45;a4cf&#45;42c8&#45;bc42&#45;61b20a638895 -->\n",
+       "<g id=\"edge9\" class=\"edge\">\n",
+       "<title>sample_2_SimulationCellVector_3&#45;&gt;19d45b72&#45;a4cf&#45;42c8&#45;bc42&#45;61b20a638895</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M6886.86,-198.18C6883.87,-198.66 6880.91,-199.1 6877.99,-199.5 6850.18,-203.32 6648.18,-200.3 6625.99,-217.5 6620.6,-221.68 6617.13,-227.88 6614.9,-234.34\"/>\n",
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+       "<text text-anchor=\"middle\" x=\"6670.99\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasComponent_z</text>\n",
+       "</g>\n",
+       "<!-- 6e999457&#45;c4bb&#45;489e&#45;a2e0&#45;34ee2dd528da -->\n",
+       "<g id=\"node129\" class=\"node\">\n",
+       "<title>6e999457&#45;c4bb&#45;489e&#45;a2e0&#45;34ee2dd528da</title>\n",
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+       "</g>\n",
+       "<!-- sample_2_SimulationCellVector_3&#45;&gt;6e999457&#45;c4bb&#45;489e&#45;a2e0&#45;34ee2dd528da -->\n",
+       "<g id=\"edge125\" class=\"edge\">\n",
+       "<title>sample_2_SimulationCellVector_3&#45;&gt;6e999457&#45;c4bb&#45;489e&#45;a2e0&#45;34ee2dd528da</title>\n",
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+       "<text text-anchor=\"middle\" x=\"6769.99\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasComponent_y</text>\n",
+       "</g>\n",
+       "<!-- aaca8987&#45;25eb&#45;44c7&#45;8fad&#45;544c5e83ca62 -->\n",
+       "<g id=\"node156\" class=\"node\">\n",
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+       "</g>\n",
+       "<!-- sample_2_SimulationCellVector_3&#45;&gt;aaca8987&#45;25eb&#45;44c7&#45;8fad&#45;544c5e83ca62 -->\n",
+       "<g id=\"edge171\" class=\"edge\">\n",
+       "<title>sample_2_SimulationCellVector_3&#45;&gt;aaca8987&#45;25eb&#45;44c7&#45;8fad&#45;544c5e83ca62</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M6886.88,-198.3C6883.88,-198.74 6880.91,-199.15 6877.99,-199.5 6852.66,-202.57 6436.88,-199.3 6418.99,-217.5 6414.81,-221.75 6413.05,-227.48 6412.63,-233.42\"/>\n",
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+       "<text text-anchor=\"middle\" x=\"6463.99\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasComponent_x</text>\n",
        "</g>\n",
        "<!-- cmso.Vector -->\n",
-       "<g id=\"node24\" class=\"node\">\n",
+       "<g id=\"node98\" class=\"node\">\n",
        "<title>cmso.Vector</title>\n",
-       "<polygon fill=\"#ffffcc\" stroke=\"#ffffcc\" points=\"9367.99,-363 9303.99,-363 9303.99,-327 9367.99,-327 9367.99,-363\"/>\n",
-       "<text text-anchor=\"middle\" x=\"9335.99\" y=\"-342.27\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.Vector</text>\n",
+       "<polygon fill=\"#ffffcc\" stroke=\"#ffffcc\" points=\"3677.99,-363 3613.99,-363 3613.99,-327 3677.99,-327 3677.99,-363\"/>\n",
+       "<text text-anchor=\"middle\" x=\"3645.99\" y=\"-342.27\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.Vector</text>\n",
        "</g>\n",
-       "<!-- cmso.PositionVector&#45;&gt;cmso.Vector -->\n",
-       "<g id=\"edge33\" class=\"edge\">\n",
-       "<title>cmso.PositionVector&#45;&gt;cmso.Vector</title>\n",
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-       "<text text-anchor=\"middle\" x=\"7731.12\" y=\"-301.4\" font-family=\"Times,serif\" font-size=\"8.00\">subClassOf</text>\n",
+       "<!-- cmso.SimulationCellVector&#45;&gt;cmso.Vector -->\n",
+       "<g id=\"edge131\" class=\"edge\">\n",
+       "<title>cmso.SimulationCellVector&#45;&gt;cmso.Vector</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M3159.87,-279.64C3162.61,-280.21 3165.32,-280.75 3167.99,-281.25 3326.71,-311.13 3517.74,-331.62 3602.19,-339.89\"/>\n",
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+       "<text text-anchor=\"middle\" x=\"3361.12\" y=\"-301.4\" font-family=\"Times,serif\" font-size=\"8.00\">subClassOf</text>\n",
        "</g>\n",
-       "<!-- 6e8139f4&#45;1028&#45;46d2&#45;9b07&#45;0da0fe01e830 -->\n",
+       "<!-- sample_2_SimulationCellLength -->\n",
+       "<g id=\"node15\" class=\"node\">\n",
+       "<title>sample_2_SimulationCellLength</title>\n",
+       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"7194.99,-199.5 7052.99,-199.5 7052.99,-163.5 7194.99,-163.5 7194.99,-199.5\"/>\n",
+       "<text text-anchor=\"middle\" x=\"7123.99\" y=\"-178.78\" font-family=\"Times,serif\" font-size=\"8.00\">sample_2_SimulationCellLength</text>\n",
+       "</g>\n",
+       "<!-- 53218f22&#45;6825&#45;423f&#45;a0fc&#45;e26e57ec7ebf -->\n",
        "<g id=\"node16\" class=\"node\">\n",
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-       "<text text-anchor=\"middle\" x=\"10261.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">3.57</text>\n",
+       "<title>53218f22&#45;6825&#45;423f&#45;a0fc&#45;e26e57ec7ebf</title>\n",
+       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"7001.64,-281.25 6956.07,-281.25 6944.34,-245.25 6989.92,-245.25 7001.64,-281.25\"/>\n",
+       "<text text-anchor=\"middle\" x=\"6972.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">5.43</text>\n",
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-       "<!-- SimulationCell_3Length&#45;&gt;6e8139f4&#45;1028&#45;46d2&#45;9b07&#45;0da0fe01e830 -->\n",
+       "<!-- sample_2_SimulationCellLength&#45;&gt;53218f22&#45;6825&#45;423f&#45;a0fc&#45;e26e57ec7ebf -->\n",
        "<g id=\"edge8\" class=\"edge\">\n",
-       "<title>SimulationCell_3Length&#45;&gt;6e8139f4&#45;1028&#45;46d2&#45;9b07&#45;0da0fe01e830</title>\n",
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-       "<!-- SimulationCell_3Length&#45;&gt;cmso.SimulationCellLength -->\n",
-       "<g id=\"edge37\" class=\"edge\">\n",
-       "<title>SimulationCell_3Length&#45;&gt;cmso.SimulationCellLength</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M10139.85,-199.8C10128.98,-210.78 10114.74,-225.15 10102.67,-237.34\"/>\n",
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+       "<title>sample_2_SimulationCellLength&#45;&gt;53218f22&#45;6825&#45;423f&#45;a0fc&#45;e26e57ec7ebf</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M7052.58,-198.04C7023.07,-205.02 6994.47,-212.74 6989.24,-217.5 6984.43,-221.88 6981.04,-227.8 6978.65,-233.9\"/>\n",
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+       "<text text-anchor=\"middle\" x=\"7025.37\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasLength_y</text>\n",
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-       "<!-- cd88fc76&#45;d160&#45;42eb&#45;b34a&#45;c26b3e9c14b9 -->\n",
-       "<g id=\"node50\" class=\"node\">\n",
-       "<title>cd88fc76&#45;d160&#45;42eb&#45;b34a&#45;c26b3e9c14b9</title>\n",
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-       "<text text-anchor=\"middle\" x=\"10468.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">3.57</text>\n",
+       "<!-- cmso.SimulationCellLength -->\n",
+       "<g id=\"node44\" class=\"node\">\n",
+       "<title>cmso.SimulationCellLength</title>\n",
+       "<polygon fill=\"#ffffcc\" stroke=\"#ffffcc\" points=\"3639.99,-281.25 3515.99,-281.25 3515.99,-245.25 3639.99,-245.25 3639.99,-281.25\"/>\n",
+       "<text text-anchor=\"middle\" x=\"3577.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.SimulationCellLength</text>\n",
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-       "<g id=\"edge31\" class=\"edge\">\n",
-       "<title>SimulationCell_3Length&#45;&gt;cd88fc76&#45;d160&#45;42eb&#45;b34a&#45;c26b3e9c14b9</title>\n",
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-       "<g id=\"node220\" class=\"node\">\n",
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-       "<g id=\"edge256\" class=\"edge\">\n",
-       "<title>SimulationCell_3Length&#45;&gt;e2ab9ec4&#45;52a4&#45;446f&#45;acc0&#45;076c15b6f736</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M10154.91,-199.57C10154.5,-208.14 10154.98,-218.51 10158.24,-227.25 10159.35,-230.22 10160.83,-233.12 10162.52,-235.9\"/>\n",
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-       "<text text-anchor=\"middle\" x=\"10195.37\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasLength_x</text>\n",
-       "</g>\n",
-       "<!-- Atom_3_1 -->\n",
-       "<g id=\"node17\" class=\"node\">\n",
-       "<title>Atom_3_1</title>\n",
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-       "<text text-anchor=\"middle\" x=\"8119.99\" y=\"-97.03\" font-family=\"Times,serif\" font-size=\"8.00\">Atom_3_1</text>\n",
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+       "<g id=\"edge140\" class=\"edge\">\n",
+       "<title>sample_2_SimulationCellLength&#45;&gt;cmso.SimulationCellLength</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M7052.57,-198.32C7049.68,-198.76 7046.81,-199.15 7043.99,-199.5 6930.94,-213.39 6642.9,-192.64 6531.74,-217.5 6521.01,-219.9 6519.76,-225 6508.99,-227.25 6356.26,-259.1 3897.97,-227.32 3651.51,-245.46\"/>\n",
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+       "<!-- 2ad3178e&#45;f7cc&#45;460e&#45;8774&#45;1c358da5a709 -->\n",
+       "<g id=\"node116\" class=\"node\">\n",
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-       "<g id=\"edge9\" class=\"edge\">\n",
-       "<title>Atom_3_1&#45;&gt;33b78883&#45;de53&#45;484d&#45;aa92&#45;19fab76ebf97</title>\n",
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-       "<!-- Atom_3_1&#45;&gt;cmso.Atom -->\n",
-       "<g id=\"edge274\" class=\"edge\">\n",
-       "<title>Atom_3_1&#45;&gt;cmso.Atom</title>\n",
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-       "<title>Atom_3_1_Element</title>\n",
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+       "<g id=\"edge104\" class=\"edge\">\n",
+       "<title>sample_2_SimulationCellLength&#45;&gt;2ad3178e&#45;f7cc&#45;460e&#45;8774&#45;1c358da5a709</title>\n",
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-       "<!-- Atom_3_1&#45;&gt;Atom_3_1_Element -->\n",
-       "<g id=\"edge35\" class=\"edge\">\n",
-       "<title>Atom_3_1&#45;&gt;Atom_3_1_Element</title>\n",
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-       "<text text-anchor=\"middle\" x=\"8155.49\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasElement</text>\n",
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-       "<title>Atom_3_1_Position</title>\n",
-       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"8578.74,-199.5 8489.24,-199.5 8489.24,-163.5 8578.74,-163.5 8578.74,-199.5\"/>\n",
-       "<text text-anchor=\"middle\" x=\"8533.99\" y=\"-178.78\" font-family=\"Times,serif\" font-size=\"8.00\">Atom_3_1_Position</text>\n",
+       "<!-- sample_2_SimulationCellLength&#45;&gt;5f26ffba&#45;6dfa&#45;444a&#45;8d50&#45;bc3ad7c4cc04 -->\n",
+       "<g id=\"edge179\" class=\"edge\">\n",
+       "<title>sample_2_SimulationCellLength&#45;&gt;5f26ffba&#45;6dfa&#45;444a&#45;8d50&#45;bc3ad7c4cc04</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M7052.54,-198.13C7049.66,-198.62 7046.8,-199.08 7043.99,-199.5 7021.3,-202.89 6853.98,-200.8 6838.24,-217.5 6834.15,-221.84 6832.4,-227.61 6831.95,-233.55\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"6828.45,-233.51 6832.37,-243.35 6835.44,-233.21 6828.45,-233.51\"/>\n",
+       "<text text-anchor=\"middle\" x=\"6874.37\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasLength_z</text>\n",
        "</g>\n",
-       "<!-- Atom_3_1&#45;&gt;Atom_3_1_Position -->\n",
-       "<g id=\"edge127\" class=\"edge\">\n",
-       "<title>Atom_3_1&#45;&gt;Atom_3_1_Position</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M8147.75,-103.75C8192.91,-108.86 8285.01,-120.22 8361.99,-135.75 8401.29,-143.68 8445.01,-155.09 8478.53,-164.4\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"8477.47,-168.02 8488.04,-167.34 8479.36,-161.28 8477.47,-168.02\"/>\n",
-       "<text text-anchor=\"middle\" x=\"8451.12\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasPositionVector</text>\n",
+       "<!-- sample_3_SimulationCellAngle -->\n",
+       "<g id=\"node18\" class=\"node\">\n",
+       "<title>sample_3_SimulationCellAngle</title>\n",
+       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"3797.37,-199.5 3660.62,-199.5 3660.62,-163.5 3797.37,-163.5 3797.37,-199.5\"/>\n",
+       "<text text-anchor=\"middle\" x=\"3728.99\" y=\"-178.78\" font-family=\"Times,serif\" font-size=\"8.00\">sample_3_SimulationCellAngle</text>\n",
        "</g>\n",
-       "<!-- Atom_2_4 -->\n",
+       "<!-- 6cfb5789&#45;ffaa&#45;4872&#45;9328&#45;35f947468fb6 -->\n",
        "<g id=\"node19\" class=\"node\">\n",
-       "<title>Atom_2_4</title>\n",
-       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"5780.49,-117.75 5725.49,-117.75 5725.49,-81.75 5780.49,-81.75 5780.49,-117.75\"/>\n",
-       "<text text-anchor=\"middle\" x=\"5752.99\" y=\"-97.03\" font-family=\"Times,serif\" font-size=\"8.00\">Atom_2_4</text>\n",
-       "</g>\n",
-       "<!-- Atom_2_4_Element -->\n",
-       "<g id=\"node20\" class=\"node\">\n",
-       "<title>Atom_2_4_Element</title>\n",
-       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"5798.87,-199.5 5707.12,-199.5 5707.12,-163.5 5798.87,-163.5 5798.87,-199.5\"/>\n",
-       "<text text-anchor=\"middle\" x=\"5752.99\" y=\"-178.78\" font-family=\"Times,serif\" font-size=\"8.00\">Atom_2_4_Element</text>\n",
+       "<title>6cfb5789&#45;ffaa&#45;4872&#45;9328&#45;35f947468fb6</title>\n",
+       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"4165.64,-281.25 4120.07,-281.25 4108.34,-245.25 4153.92,-245.25 4165.64,-281.25\"/>\n",
+       "<text text-anchor=\"middle\" x=\"4136.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">90.0</text>\n",
        "</g>\n",
-       "<!-- Atom_2_4&#45;&gt;Atom_2_4_Element -->\n",
+       "<!-- sample_3_SimulationCellAngle&#45;&gt;6cfb5789&#45;ffaa&#45;4872&#45;9328&#45;35f947468fb6 -->\n",
        "<g id=\"edge10\" class=\"edge\">\n",
-       "<title>Atom_2_4&#45;&gt;Atom_2_4_Element</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M5752.99,-118.05C5752.99,-128.09 5752.99,-140.96 5752.99,-152.41\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"5749.49,-152.23 5752.99,-162.23 5756.49,-152.23 5749.49,-152.23\"/>\n",
-       "<text text-anchor=\"middle\" x=\"5787.49\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasElement</text>\n",
+       "<title>sample_3_SimulationCellAngle&#45;&gt;6cfb5789&#45;ffaa&#45;4872&#45;9328&#45;35f947468fb6</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M3797.74,-198.24C3800.52,-198.7 3803.28,-199.12 3805.99,-199.5 3871.04,-208.61 4042.65,-187.34 4100.99,-217.5 4109.21,-221.75 4116.2,-228.8 4121.78,-236.06\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"4118.65,-237.69 4127.21,-243.93 4124.41,-233.71 4118.65,-237.69\"/>\n",
+       "<text text-anchor=\"middle\" x=\"4160.12\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasAngle_gamma</text>\n",
        "</g>\n",
-       "<!-- Atom_2_4&#45;&gt;cmso.Atom -->\n",
-       "<g id=\"edge26\" class=\"edge\">\n",
-       "<title>Atom_2_4&#45;&gt;cmso.Atom</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M5725.09,-108.6C5708.8,-114.21 5688.6,-123.04 5673.74,-135.75 5667.9,-140.75 5662.81,-147.24 5658.61,-153.71\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"5655.19,-151.63 5653.1,-162.01 5661.21,-155.19 5655.19,-151.63\"/>\n",
-       "<text text-anchor=\"middle\" x=\"5682.62\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">type</text>\n",
+       "<!-- sample_3_SimulationCellAngle&#45;&gt;cmso.SimulationCellAngle -->\n",
+       "<g id=\"edge205\" class=\"edge\">\n",
+       "<title>sample_3_SimulationCellAngle&#45;&gt;cmso.SimulationCellAngle</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M3797.77,-198.06C3800.54,-198.57 3803.29,-199.05 3805.99,-199.5 3841.51,-205.39 3942.99,-190.67 3966.99,-217.5 3971.39,-222.42 3971.43,-228.6 3969.38,-234.77\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"3966.31,-233.08 3965.04,-243.6 3972.59,-236.17 3966.31,-233.08\"/>\n",
+       "<text text-anchor=\"middle\" x=\"3979.62\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">type</text>\n",
        "</g>\n",
-       "<!-- Atom_2_4_Position -->\n",
-       "<g id=\"node40\" class=\"node\">\n",
-       "<title>Atom_2_4_Position</title>\n",
-       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"6032.74,-199.5 5943.24,-199.5 5943.24,-163.5 6032.74,-163.5 6032.74,-199.5\"/>\n",
-       "<text text-anchor=\"middle\" x=\"5987.99\" y=\"-178.78\" font-family=\"Times,serif\" font-size=\"8.00\">Atom_2_4_Position</text>\n",
+       "<!-- 05c40b99&#45;db4a&#45;4c9e&#45;b398&#45;3020428dc564 -->\n",
+       "<g id=\"node108\" class=\"node\">\n",
+       "<title>05c40b99&#45;db4a&#45;4c9e&#45;b398&#45;3020428dc564</title>\n",
+       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"4280.64,-281.25 4235.07,-281.25 4223.34,-245.25 4268.92,-245.25 4280.64,-281.25\"/>\n",
+       "<text text-anchor=\"middle\" x=\"4251.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">90.0</text>\n",
        "</g>\n",
-       "<!-- Atom_2_4&#45;&gt;Atom_2_4_Position -->\n",
-       "<g id=\"edge53\" class=\"edge\">\n",
-       "<title>Atom_2_4&#45;&gt;Atom_2_4_Position</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M5780.61,-102.99C5828.89,-107.31 5926.23,-117.98 5954.99,-135.75 5962.5,-140.39 5968.85,-147.42 5973.92,-154.54\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"5971.29,-155.92 5979.64,-162.44 5977.18,-152.14 5971.29,-155.92\"/>\n",
-       "<text text-anchor=\"middle\" x=\"6013.12\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasPositionVector</text>\n",
-       "</g>\n",
-       "<!-- 43b766d2&#45;3403&#45;4148&#45;a535&#45;318f16b7be0f -->\n",
-       "<g id=\"node213\" class=\"node\">\n",
-       "<title>43b766d2&#45;3403&#45;4148&#45;a535&#45;318f16b7be0f</title>\n",
-       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"5872.98,-199.5 5828.46,-199.5 5817,-163.5 5861.53,-163.5 5872.98,-199.5\"/>\n",
-       "<text text-anchor=\"middle\" x=\"5844.99\" y=\"-178.78\" font-family=\"Times,serif\" font-size=\"8.00\">4</text>\n",
-       "</g>\n",
-       "<!-- Atom_2_4&#45;&gt;43b766d2&#45;3403&#45;4148&#45;a535&#45;318f16b7be0f -->\n",
-       "<g id=\"edge242\" class=\"edge\">\n",
-       "<title>Atom_2_4&#45;&gt;43b766d2&#45;3403&#45;4148&#45;a535&#45;318f16b7be0f</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M5780.85,-109.81C5794.87,-115.49 5811.31,-123.99 5822.99,-135.75 5827.96,-140.75 5831.99,-147.09 5835.18,-153.42\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"5832.25,-154.44 5839.51,-162.15 5838.64,-151.59 5832.25,-154.44\"/>\n",
-       "<text text-anchor=\"middle\" x=\"5890.99\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasCoordinationNumber</text>\n",
-       "</g>\n",
-       "<!-- Atom_2_4_Element&#45;&gt;cmso.Element -->\n",
-       "<g id=\"edge48\" class=\"edge\">\n",
-       "<title>Atom_2_4_Element&#45;&gt;cmso.Element</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M5748.9,-199.6C5745.68,-209.27 5740.15,-220.71 5730.99,-227.25 5682.2,-262.11 5654.23,-233.25 5591.49,-245.45\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"5591.1,-242.17 5582.11,-247.77 5592.63,-249 5591.1,-242.17\"/>\n",
-       "<text text-anchor=\"middle\" x=\"5749.62\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">type</text>\n",
+       "<!-- sample_3_SimulationCellAngle&#45;&gt;05c40b99&#45;db4a&#45;4c9e&#45;b398&#45;3020428dc564 -->\n",
+       "<g id=\"edge88\" class=\"edge\">\n",
+       "<title>sample_3_SimulationCellAngle&#45;&gt;05c40b99&#45;db4a&#45;4c9e&#45;b398&#45;3020428dc564</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M3797.73,-198.29C3800.52,-198.74 3803.28,-199.14 3805.99,-199.5 3850.54,-205.37 4169.16,-198.74 4209.99,-217.5 4219.18,-221.72 4227.32,-228.96 4233.94,-236.4\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"4230.99,-238.33 4240.02,-243.88 4236.43,-233.91 4230.99,-238.33\"/>\n",
+       "<text text-anchor=\"middle\" x=\"4264.12\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasAngle_beta</text>\n",
        "</g>\n",
-       "<!-- 28644d50&#45;1318&#45;43ba&#45;ba0c&#45;01a16214fee4 -->\n",
-       "<g id=\"node139\" class=\"node\">\n",
-       "<title>28644d50&#45;1318&#45;43ba&#45;ba0c&#45;01a16214fee4</title>\n",
-       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"5900.98,-281.25 5856.46,-281.25 5845,-245.25 5889.53,-245.25 5900.98,-281.25\"/>\n",
-       "<text text-anchor=\"middle\" x=\"5872.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">Si</text>\n",
+       "<!-- c50ca7b3&#45;e2f0&#45;4d7c&#45;9850&#45;183d3c344c79 -->\n",
+       "<g id=\"node172\" class=\"node\">\n",
+       "<title>c50ca7b3&#45;e2f0&#45;4d7c&#45;9850&#45;183d3c344c79</title>\n",
+       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"4084.64,-281.25 4039.07,-281.25 4027.34,-245.25 4072.92,-245.25 4084.64,-281.25\"/>\n",
+       "<text text-anchor=\"middle\" x=\"4055.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">90.0</text>\n",
        "</g>\n",
-       "<!-- Atom_2_4_Element&#45;&gt;28644d50&#45;1318&#45;43ba&#45;ba0c&#45;01a16214fee4 -->\n",
-       "<g id=\"edge120\" class=\"edge\">\n",
-       "<title>Atom_2_4_Element&#45;&gt;28644d50&#45;1318&#45;43ba&#45;ba0c&#45;01a16214fee4</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M5799.31,-197.3C5822.56,-205.04 5846.71,-213.68 5850.99,-217.5 5856.33,-222.27 5860.52,-228.62 5863.74,-235.04\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"5860.85,-236.18 5868.03,-243.97 5867.28,-233.4 5860.85,-236.18\"/>\n",
-       "<text text-anchor=\"middle\" x=\"5891.62\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasSymbol</text>\n",
+       "<!-- sample_3_SimulationCellAngle&#45;&gt;c50ca7b3&#45;e2f0&#45;4d7c&#45;9850&#45;183d3c344c79 -->\n",
+       "<g id=\"edge201\" class=\"edge\">\n",
+       "<title>sample_3_SimulationCellAngle&#45;&gt;c50ca7b3&#45;e2f0&#45;4d7c&#45;9850&#45;183d3c344c79</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M3797.76,-198.11C3800.54,-198.61 3803.29,-199.07 3805.99,-199.5 3888.03,-212.48 3914.07,-188.76 3991.99,-217.5 4004.65,-222.17 4017.14,-229.97 4027.68,-237.77\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"4025.52,-240.52 4035.57,-243.9 4029.82,-235 4025.52,-240.52\"/>\n",
+       "<text text-anchor=\"middle\" x=\"4054.37\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasAngle_alpha</text>\n",
        "</g>\n",
-       "<!-- SimulationCell_2Vector03 -->\n",
+       "<!-- sample_3_CrystalStructure -->\n",
        "<g id=\"node21\" class=\"node\">\n",
-       "<title>SimulationCell_2Vector03</title>\n",
-       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"1352.99,-199.5 1234.99,-199.5 1234.99,-163.5 1352.99,-163.5 1352.99,-199.5\"/>\n",
-       "<text text-anchor=\"middle\" x=\"1293.99\" y=\"-178.78\" font-family=\"Times,serif\" font-size=\"8.00\">SimulationCell_2Vector03</text>\n",
+       "<title>sample_3_CrystalStructure</title>\n",
+       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"4183.24,-199.5 4060.74,-199.5 4060.74,-163.5 4183.24,-163.5 4183.24,-199.5\"/>\n",
+       "<text text-anchor=\"middle\" x=\"4121.99\" y=\"-178.78\" font-family=\"Times,serif\" font-size=\"8.00\">sample_3_CrystalStructure</text>\n",
        "</g>\n",
-       "<!-- fa45b725&#45;c6ba&#45;4768&#45;beb8&#45;9b04079c3b7f -->\n",
-       "<g id=\"node22\" class=\"node\">\n",
-       "<title>fa45b725&#45;c6ba&#45;4768&#45;beb8&#45;9b04079c3b7f</title>\n",
-       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"1140.64,-281.25 1095.07,-281.25 1083.34,-245.25 1128.92,-245.25 1140.64,-281.25\"/>\n",
-       "<text text-anchor=\"middle\" x=\"1111.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">5.43</text>\n",
+       "<!-- sample_3_CrystalStructure&#45;&gt;sample_3_UnitCell -->\n",
+       "<g id=\"edge148\" class=\"edge\">\n",
+       "<title>sample_3_CrystalStructure&#45;&gt;sample_3_UnitCell</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M4183.42,-198.03C4186.65,-198.59 4189.85,-199.08 4192.99,-199.5 4330.73,-217.77 4682.22,-187.97 4817.99,-217.5 4839.63,-222.21 4862.41,-231.23 4881.28,-239.95\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"4879.71,-243.08 4890.24,-244.22 4882.72,-236.76 4879.71,-243.08\"/>\n",
+       "<text text-anchor=\"middle\" x=\"4883.12\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasUnitCell</text>\n",
        "</g>\n",
-       "<!-- SimulationCell_2Vector03&#45;&gt;fa45b725&#45;c6ba&#45;4768&#45;beb8&#45;9b04079c3b7f -->\n",
-       "<g id=\"edge11\" class=\"edge\">\n",
-       "<title>SimulationCell_2Vector03&#45;&gt;fa45b725&#45;c6ba&#45;4768&#45;beb8&#45;9b04079c3b7f</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M1234.71,-197.58C1231.77,-198.24 1228.85,-198.89 1225.99,-199.5 1181.4,-209.03 1158.9,-187.02 1124.99,-217.5 1120.06,-221.94 1116.95,-228.12 1115.01,-234.48\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"1111.41,-233.55 1112.72,-244.07 1118.25,-235.03 1111.41,-233.55\"/>\n",
-       "<text text-anchor=\"middle\" x=\"1169.99\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasComponent_z</text>\n",
+       "<!-- sample_3_CrystalStructure&#45;&gt;cmso.CrystalStructure -->\n",
+       "<g id=\"edge12\" class=\"edge\">\n",
+       "<title>sample_3_CrystalStructure&#45;&gt;cmso.CrystalStructure</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M4183.42,-198.02C4186.65,-198.58 4189.85,-199.08 4192.99,-199.5 4225.72,-203.87 4759.23,-199.63 4786.99,-217.5 4793.2,-221.5 4797.72,-227.8 4800.98,-234.43\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"4797.61,-235.43 4804.57,-243.42 4804.11,-232.84 4797.61,-235.43\"/>\n",
+       "<text text-anchor=\"middle\" x=\"4805.62\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">type</text>\n",
        "</g>\n",
-       "<!-- cmso.SimulationCellVector -->\n",
-       "<g id=\"node35\" class=\"node\">\n",
-       "<title>cmso.SimulationCellVector</title>\n",
-       "<polygon fill=\"#ffffcc\" stroke=\"#ffffcc\" points=\"9772.49,-281.25 9651.49,-281.25 9651.49,-245.25 9772.49,-245.25 9772.49,-281.25\"/>\n",
-       "<text text-anchor=\"middle\" x=\"9711.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.SimulationCellVector</text>\n",
+       "<!-- ccffa5be&#45;bd0d&#45;40ef&#45;8d5f&#45;4ec1fdc630b7 -->\n",
+       "<g id=\"node114\" class=\"node\">\n",
+       "<title>ccffa5be&#45;bd0d&#45;40ef&#45;8d5f&#45;4ec1fdc630b7</title>\n",
+       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"4433.12,-281.25 4372.47,-281.25 4356.86,-245.25 4417.52,-245.25 4433.12,-281.25\"/>\n",
+       "<text text-anchor=\"middle\" x=\"4394.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">Pm&#45;3M</text>\n",
        "</g>\n",
-       "<!-- SimulationCell_2Vector03&#45;&gt;cmso.SimulationCellVector -->\n",
-       "<g id=\"edge162\" class=\"edge\">\n",
-       "<title>SimulationCell_2Vector03&#45;&gt;cmso.SimulationCellVector</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M1353.49,-189.19C1390.66,-193.04 1439.55,-197.5 1482.99,-199.5 1890.89,-218.31 8425.46,-191.87 8832.99,-217.5 8868.19,-219.71 8876.57,-224.65 8911.74,-227.25 9070.31,-238.99 9464.46,-224.59 9640.3,-245.29\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"9639.7,-248.87 9650.05,-246.64 9640.57,-241.92 9639.7,-248.87\"/>\n",
-       "<text text-anchor=\"middle\" x=\"8920.62\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">type</text>\n",
+       "<!-- sample_3_CrystalStructure&#45;&gt;ccffa5be&#45;bd0d&#45;40ef&#45;8d5f&#45;4ec1fdc630b7 -->\n",
+       "<g id=\"edge101\" class=\"edge\">\n",
+       "<title>sample_3_CrystalStructure&#45;&gt;ccffa5be&#45;bd0d&#45;40ef&#45;8d5f&#45;4ec1fdc630b7</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M4183.46,-197.76C4186.68,-198.39 4189.87,-198.97 4192.99,-199.5 4232.63,-206.2 4339.97,-194.58 4372.99,-217.5 4379.06,-221.71 4383.53,-228.09 4386.79,-234.71\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"4383.41,-235.7 4390.4,-243.66 4389.9,-233.08 4383.41,-235.7\"/>\n",
+       "<text text-anchor=\"middle\" x=\"4440.37\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasSpaceGroupSymbol</text>\n",
        "</g>\n",
-       "<!-- cb190bb5&#45;65e0&#45;4cfc&#45;b625&#45;7098bebc5d0d -->\n",
-       "<g id=\"node164\" class=\"node\">\n",
-       "<title>cb190bb5&#45;65e0&#45;4cfc&#45;b625&#45;7098bebc5d0d</title>\n",
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-       "<text text-anchor=\"middle\" x=\"1224.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">0.0</text>\n",
+       "<!-- 8f7b95bd&#45;8893&#45;4075&#45;bbe1&#45;18b004f68af4 -->\n",
+       "<g id=\"node121\" class=\"node\">\n",
+       "<title>8f7b95bd&#45;8893&#45;4075&#45;bbe1&#45;18b004f68af4</title>\n",
+       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"4555.98,-281.25 4511.46,-281.25 4500,-245.25 4544.53,-245.25 4555.98,-281.25\"/>\n",
+       "<text text-anchor=\"middle\" x=\"4527.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">L12</text>\n",
        "</g>\n",
-       "<!-- SimulationCell_2Vector03&#45;&gt;cb190bb5&#45;65e0&#45;4cfc&#45;b625&#45;7098bebc5d0d -->\n",
-       "<g id=\"edge159\" class=\"edge\">\n",
-       "<title>SimulationCell_2Vector03&#45;&gt;cb190bb5&#45;65e0&#45;4cfc&#45;b625&#45;7098bebc5d0d</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M1240.14,-199.98C1232.93,-204.56 1226.49,-210.31 1221.99,-217.5 1218.92,-222.41 1217.89,-228.24 1217.97,-234.04\"/>\n",
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-       "<text text-anchor=\"middle\" x=\"1266.99\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasComponent_y</text>\n",
-       "</g>\n",
-       "<!-- 9b86ff38&#45;e543&#45;46dd&#45;bd16&#45;520b38af0ac9 -->\n",
-       "<g id=\"node244\" class=\"node\">\n",
-       "<title>9b86ff38&#45;e543&#45;46dd&#45;bd16&#45;520b38af0ac9</title>\n",
-       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"1365.98,-281.25 1321.46,-281.25 1310,-245.25 1354.53,-245.25 1365.98,-281.25\"/>\n",
-       "<text text-anchor=\"middle\" x=\"1337.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">0.0</text>\n",
-       "</g>\n",
-       "<!-- SimulationCell_2Vector03&#45;&gt;9b86ff38&#45;e543&#45;46dd&#45;bd16&#45;520b38af0ac9 -->\n",
-       "<g id=\"edge304\" class=\"edge\">\n",
-       "<title>SimulationCell_2Vector03&#45;&gt;9b86ff38&#45;e543&#45;46dd&#45;bd16&#45;520b38af0ac9</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M1305.32,-199.73C1308.86,-205.33 1312.7,-211.61 1315.99,-217.5 1319.18,-223.21 1322.41,-229.46 1325.37,-235.42\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"1322.52,-236.57 1330.05,-244.03 1328.82,-233.51 1322.52,-236.57\"/>\n",
-       "<text text-anchor=\"middle\" x=\"1366.99\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasComponent_x</text>\n",
+       "<!-- sample_3_CrystalStructure&#45;&gt;8f7b95bd&#45;8893&#45;4075&#45;bbe1&#45;18b004f68af4 -->\n",
+       "<g id=\"edge111\" class=\"edge\">\n",
+       "<title>sample_3_CrystalStructure&#45;&gt;8f7b95bd&#45;8893&#45;4075&#45;bbe1&#45;18b004f68af4</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M4183.44,-197.91C4186.66,-198.5 4189.86,-199.04 4192.99,-199.5 4227.01,-204.52 4472.7,-199.49 4501.99,-217.5 4508.68,-221.61 4513.83,-228.13 4517.71,-234.93\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"4514.35,-236.02 4521.87,-243.48 4520.65,-232.96 4514.35,-236.02\"/>\n",
+       "<text text-anchor=\"middle\" x=\"4548.24\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasAltName</text>\n",
        "</g>\n",
-       "<!-- cmso.LatticeVector -->\n",
-       "<g id=\"node23\" class=\"node\">\n",
-       "<title>cmso.LatticeVector</title>\n",
-       "<polygon fill=\"#ffffcc\" stroke=\"#ffffcc\" points=\"9347.49,-281.25 9256.49,-281.25 9256.49,-245.25 9347.49,-245.25 9347.49,-281.25\"/>\n",
-       "<text text-anchor=\"middle\" x=\"9301.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.LatticeVector</text>\n",
+       "<!-- 927b2521&#45;6603&#45;4909&#45;8f92&#45;7959226992f5 -->\n",
+       "<g id=\"node149\" class=\"node\">\n",
+       "<title>927b2521&#45;6603&#45;4909&#45;8f92&#45;7959226992f5</title>\n",
+       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"4629.98,-281.25 4585.46,-281.25 4574,-245.25 4618.53,-245.25 4629.98,-281.25\"/>\n",
+       "<text text-anchor=\"middle\" x=\"4601.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">221</text>\n",
        "</g>\n",
-       "<!-- cmso.LatticeVector&#45;&gt;cmso.Vector -->\n",
-       "<g id=\"edge12\" class=\"edge\">\n",
-       "<title>cmso.LatticeVector&#45;&gt;cmso.Vector</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M9299.41,-281.41C9298.83,-290 9299.21,-300.37 9302.74,-309 9304.07,-312.26 9305.87,-315.39 9307.93,-318.35\"/>\n",
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-       "<text text-anchor=\"middle\" x=\"9325.12\" y=\"-301.4\" font-family=\"Times,serif\" font-size=\"8.00\">subClassOf</text>\n",
+       "<!-- sample_3_CrystalStructure&#45;&gt;927b2521&#45;6603&#45;4909&#45;8f92&#45;7959226992f5 -->\n",
+       "<g id=\"edge162\" class=\"edge\">\n",
+       "<title>sample_3_CrystalStructure&#45;&gt;927b2521&#45;6603&#45;4909&#45;8f92&#45;7959226992f5</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M4183.43,-197.96C4186.65,-198.54 4189.85,-199.06 4192.99,-199.5 4236.38,-205.63 4552.01,-191.1 4586.99,-217.5 4592.44,-221.61 4595.93,-227.78 4598.16,-234.24\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"4594.68,-234.73 4600.48,-243.59 4601.47,-233.05 4594.68,-234.73\"/>\n",
+       "<text text-anchor=\"middle\" x=\"4654.24\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasSpaceGroupNumber</text>\n",
        "</g>\n",
-       "<!-- ANGSTROM -->\n",
-       "<g id=\"node168\" class=\"node\">\n",
-       "<title>ANGSTROM</title>\n",
-       "<polygon fill=\"#ffffcc\" stroke=\"#ffffcc\" points=\"9679.49,-608.25 9612.49,-608.25 9612.49,-572.25 9679.49,-572.25 9679.49,-608.25\"/>\n",
-       "<text text-anchor=\"middle\" x=\"9645.99\" y=\"-587.52\" font-family=\"Times,serif\" font-size=\"8.00\">ANGSTROM</text>\n",
+       "<!-- sample_1_SimulationCellVector_3 -->\n",
+       "<g id=\"node23\" class=\"node\">\n",
+       "<title>sample_1_SimulationCellVector_3</title>\n",
+       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"1143.99,-199.5 995.99,-199.5 995.99,-163.5 1143.99,-163.5 1143.99,-199.5\"/>\n",
+       "<text text-anchor=\"middle\" x=\"1069.99\" y=\"-178.78\" font-family=\"Times,serif\" font-size=\"8.00\">sample_1_SimulationCellVector_3</text>\n",
        "</g>\n",
-       "<!-- cmso.Vector&#45;&gt;ANGSTROM -->\n",
-       "<g id=\"edge169\" class=\"edge\">\n",
-       "<title>cmso.Vector&#45;&gt;ANGSTROM</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M9368.3,-348.44C9434.32,-354.17 9581.01,-370.96 9610.99,-408.75 9615.72,-414.71 9632.83,-511.96 9641.25,-561.18\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"9637.96,-561.75 9643.09,-571.02 9644.86,-560.57 9637.96,-561.75\"/>\n",
-       "<text text-anchor=\"middle\" x=\"9652.62\" y=\"-464.9\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasUnit</text>\n",
+       "<!-- sample_1_SimulationCellVector_3&#45;&gt;cmso.SimulationCellVector -->\n",
+       "<g id=\"edge73\" class=\"edge\">\n",
+       "<title>sample_1_SimulationCellVector_3&#45;&gt;cmso.SimulationCellVector</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M1144.1,-198.39C1147.09,-198.8 1150.07,-199.18 1152.99,-199.5 1625.33,-251.4 1749.64,-165.75 2221.99,-217.5 2243.52,-219.86 2248.22,-224.82 2269.74,-227.25 2601.98,-264.8 2693.03,-201.94 3027.2,-245.06\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"3026.31,-248.47 3036.68,-246.31 3027.22,-241.53 3026.31,-248.47\"/>\n",
+       "<text text-anchor=\"middle\" x=\"2278.62\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">type</text>\n",
        "</g>\n",
-       "<!-- Atom_2_6_Position -->\n",
-       "<g id=\"node25\" class=\"node\">\n",
-       "<title>Atom_2_6_Position</title>\n",
-       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"2516.74,-199.5 2427.24,-199.5 2427.24,-163.5 2516.74,-163.5 2516.74,-199.5\"/>\n",
-       "<text text-anchor=\"middle\" x=\"2471.99\" y=\"-178.78\" font-family=\"Times,serif\" font-size=\"8.00\">Atom_2_6_Position</text>\n",
+       "<!-- d90df73d&#45;7c7a&#45;4d76&#45;a0c9&#45;fc791f9e7d38 -->\n",
+       "<g id=\"node24\" class=\"node\">\n",
+       "<title>d90df73d&#45;7c7a&#45;4d76&#45;a0c9&#45;fc791f9e7d38</title>\n",
+       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"1021.98,-281.25 977.46,-281.25 966,-245.25 1010.53,-245.25 1021.98,-281.25\"/>\n",
+       "<text text-anchor=\"middle\" x=\"993.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">0.0</text>\n",
        "</g>\n",
-       "<!-- Atom_2_6_Position&#45;&gt;cmso.PositionVector -->\n",
+       "<!-- sample_1_SimulationCellVector_3&#45;&gt;d90df73d&#45;7c7a&#45;4d76&#45;a0c9&#45;fc791f9e7d38 -->\n",
        "<g id=\"edge13\" class=\"edge\">\n",
-       "<title>Atom_2_6_Position&#45;&gt;cmso.PositionVector</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M2516.96,-199.89C2547.18,-211.23 2584.36,-224.43 2600.74,-227.25 2769.01,-256.17 5503.83,-231.19 5673.99,-245.25 5689.54,-246.53 5706.25,-248.8 5721.7,-251.26\"/>\n",
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-       "<text text-anchor=\"middle\" x=\"2609.62\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">type</text>\n",
+       "<title>sample_1_SimulationCellVector_3&#45;&gt;d90df73d&#45;7c7a&#45;4d76&#45;a0c9&#45;fc791f9e7d38</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M1013.71,-199.94C1006.33,-204.52 999.7,-210.28 994.99,-217.5 991.92,-222.21 990.5,-227.84 990.05,-233.49\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"986.55,-233.38 990.24,-243.32 993.55,-233.25 986.55,-233.38\"/>\n",
+       "<text text-anchor=\"middle\" x=\"1039.99\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasComponent_x</text>\n",
        "</g>\n",
-       "<!-- 67ae8664&#45;2768&#45;478b&#45;9a9c&#45;c30862493e28 -->\n",
-       "<g id=\"node141\" class=\"node\">\n",
-       "<title>67ae8664&#45;2768&#45;478b&#45;9a9c&#45;c30862493e28</title>\n",
-       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"2283.49,-281.25 2223.84,-281.25 2208.49,-245.25 2268.14,-245.25 2283.49,-281.25\"/>\n",
-       "<text text-anchor=\"middle\" x=\"2245.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">1.3575</text>\n",
+       "<!-- eb3d19f2&#45;955a&#45;495f&#45;9cfe&#45;fbcc4cbc9742 -->\n",
+       "<g id=\"node59\" class=\"node\">\n",
+       "<title>eb3d19f2&#45;955a&#45;495f&#45;9cfe&#45;fbcc4cbc9742</title>\n",
+       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"1175.64,-281.25 1130.07,-281.25 1118.34,-245.25 1163.92,-245.25 1175.64,-281.25\"/>\n",
+       "<text text-anchor=\"middle\" x=\"1146.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">2.87</text>\n",
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-       "<g id=\"edge124\" class=\"edge\">\n",
-       "<title>Atom_2_6_Position&#45;&gt;67ae8664&#45;2768&#45;478b&#45;9a9c&#45;c30862493e28</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M2426.88,-186.57C2377.23,-191.75 2301.22,-201.92 2276.99,-217.5 2270,-222 2264.15,-228.69 2259.48,-235.54\"/>\n",
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-       "<text text-anchor=\"middle\" x=\"2321.99\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasComponent_y</text>\n",
-       "</g>\n",
-       "<!-- dd6fec4e&#45;ba2f&#45;49dd&#45;89a5&#45;bab9729592db -->\n",
-       "<g id=\"node180\" class=\"node\">\n",
-       "<title>dd6fec4e&#45;ba2f&#45;49dd&#45;89a5&#45;bab9729592db</title>\n",
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-       "<g id=\"edge187\" class=\"edge\">\n",
-       "<title>Atom_2_6_Position&#45;&gt;dd6fec4e&#45;ba2f&#45;49dd&#45;89a5&#45;bab9729592db</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M2427.22,-191.18C2410.09,-196.4 2391.46,-204.62 2377.99,-217.5 2372.95,-222.32 2369.18,-228.7 2366.39,-235.12\"/>\n",
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-       "<text text-anchor=\"middle\" x=\"2422.99\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasComponent_z</text>\n",
-       "</g>\n",
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-       "<g id=\"node218\" class=\"node\">\n",
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-       "<!-- Atom_2_6_Position&#45;&gt;46c3a49d&#45;fef2&#45;4a13&#45;b7c6&#45;6b78719d7c12 -->\n",
-       "<g id=\"edge254\" class=\"edge\">\n",
-       "<title>Atom_2_6_Position&#45;&gt;46c3a49d&#45;fef2&#45;4a13&#45;b7c6&#45;6b78719d7c12</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M2471.99,-199.8C2471.99,-209.84 2471.99,-222.71 2471.99,-234.16\"/>\n",
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-       "<text text-anchor=\"middle\" x=\"2516.99\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasComponent_x</text>\n",
-       "</g>\n",
-       "<!-- CrystalStructure_3 -->\n",
-       "<g id=\"node26\" class=\"node\">\n",
-       "<title>CrystalStructure_3</title>\n",
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-       "<text text-anchor=\"middle\" x=\"8016.99\" y=\"-178.78\" font-family=\"Times,serif\" font-size=\"8.00\">CrystalStructure_3</text>\n",
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+       "<g id=\"edge35\" class=\"edge\">\n",
+       "<title>sample_1_SimulationCellVector_3&#45;&gt;eb3d19f2&#45;955a&#45;495f&#45;9cfe&#45;fbcc4cbc9742</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M1103.67,-199.82C1111.31,-204.81 1118.95,-210.76 1124.99,-217.5 1129.4,-222.42 1133.13,-228.37 1136.2,-234.32\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"1133.02,-235.77 1140.38,-243.39 1139.38,-232.85 1133.02,-235.77\"/>\n",
+       "<text text-anchor=\"middle\" x=\"1176.99\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasComponent_z</text>\n",
        "</g>\n",
-       "<!-- UnitCell_3 -->\n",
-       "<g id=\"node27\" class=\"node\">\n",
-       "<title>UnitCell_3</title>\n",
-       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"8211.62,-281.25 8154.37,-281.25 8154.37,-245.25 8211.62,-245.25 8211.62,-281.25\"/>\n",
-       "<text text-anchor=\"middle\" x=\"8182.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">UnitCell_3</text>\n",
+       "<!-- cf8efc6c&#45;f950&#45;4656&#45;979f&#45;3c7129364d51 -->\n",
+       "<g id=\"node167\" class=\"node\">\n",
+       "<title>cf8efc6c&#45;f950&#45;4656&#45;979f&#45;3c7129364d51</title>\n",
+       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"1287.98,-281.25 1243.46,-281.25 1232,-245.25 1276.53,-245.25 1287.98,-281.25\"/>\n",
+       "<text text-anchor=\"middle\" x=\"1259.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">0.0</text>\n",
+       "</g>\n",
+       "<!-- sample_1_SimulationCellVector_3&#45;&gt;cf8efc6c&#45;f950&#45;4656&#45;979f&#45;3c7129364d51 -->\n",
+       "<g id=\"edge191\" class=\"edge\">\n",
+       "<title>sample_1_SimulationCellVector_3&#45;&gt;cf8efc6c&#45;f950&#45;4656&#45;979f&#45;3c7129364d51</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M1144.3,-198.01C1182.64,-206.21 1222.23,-215.08 1225.99,-217.5 1233.22,-222.14 1239.49,-228.88 1244.62,-235.72\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"1241.51,-237.38 1250.02,-243.68 1247.3,-233.45 1241.51,-237.38\"/>\n",
+       "<text text-anchor=\"middle\" x=\"1281.99\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasComponent_y</text>\n",
+       "</g>\n",
+       "<!-- sample_1_SimulationCellAngle -->\n",
+       "<g id=\"node25\" class=\"node\">\n",
+       "<title>sample_1_SimulationCellAngle</title>\n",
+       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"1298.37,-199.5 1161.62,-199.5 1161.62,-163.5 1298.37,-163.5 1298.37,-199.5\"/>\n",
+       "<text text-anchor=\"middle\" x=\"1229.99\" y=\"-178.78\" font-family=\"Times,serif\" font-size=\"8.00\">sample_1_SimulationCellAngle</text>\n",
        "</g>\n",
-       "<!-- CrystalStructure_3&#45;&gt;UnitCell_3 -->\n",
+       "<!-- sample_1_SimulationCellAngle&#45;&gt;cmso.SimulationCellAngle -->\n",
        "<g id=\"edge14\" class=\"edge\">\n",
-       "<title>CrystalStructure_3&#45;&gt;UnitCell_3</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M8062.86,-197.26C8065.61,-198.05 8068.33,-198.8 8070.99,-199.5 8107.91,-209.24 8123.73,-195.58 8154.99,-217.5 8161.6,-222.13 8166.97,-228.86 8171.18,-235.71\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"8168.34,-236.82 8176.2,-243.93 8174.49,-233.47 8168.34,-236.82\"/>\n",
-       "<text text-anchor=\"middle\" x=\"8199.12\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasUnitCell</text>\n",
+       "<title>sample_1_SimulationCellAngle&#45;&gt;cmso.SimulationCellAngle</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M1298.77,-198.3C1301.88,-198.76 1304.96,-199.16 1307.99,-199.5 1344.02,-203.51 3885.81,-200.81 3917.99,-217.5 3925.69,-221.49 3931.95,-228.28 3936.82,-235.37\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"3933.69,-236.95 3941.84,-243.71 3939.68,-233.34 3933.69,-236.95\"/>\n",
+       "<text text-anchor=\"middle\" x=\"3938.62\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">type</text>\n",
        "</g>\n",
-       "<!-- cmso.CrystalStructure -->\n",
-       "<g id=\"node105\" class=\"node\">\n",
-       "<title>cmso.CrystalStructure</title>\n",
-       "<polygon fill=\"#ffffcc\" stroke=\"#ffffcc\" points=\"8136.24,-281.25 8031.74,-281.25 8031.74,-245.25 8136.24,-245.25 8136.24,-281.25\"/>\n",
-       "<text text-anchor=\"middle\" x=\"8083.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.CrystalStructure</text>\n",
+       "<!-- 21ca695c&#45;4254&#45;4f24&#45;985f&#45;1524c9dc8db5 -->\n",
+       "<g id=\"node42\" class=\"node\">\n",
+       "<title>21ca695c&#45;4254&#45;4f24&#45;985f&#45;1524c9dc8db5</title>\n",
+       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"1401.64,-281.25 1356.07,-281.25 1344.34,-245.25 1389.92,-245.25 1401.64,-281.25\"/>\n",
+       "<text text-anchor=\"middle\" x=\"1372.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">90.0</text>\n",
        "</g>\n",
-       "<!-- CrystalStructure_3&#45;&gt;cmso.CrystalStructure -->\n",
-       "<g id=\"edge142\" class=\"edge\">\n",
-       "<title>CrystalStructure_3&#45;&gt;cmso.CrystalStructure</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M8055.96,-199.82C8063.21,-204.62 8070.05,-210.48 8074.99,-217.5 8078.47,-222.44 8080.67,-228.41 8082.05,-234.35\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"8078.69,-234.49 8083.75,-243.8 8085.6,-233.37 8078.69,-234.49\"/>\n",
-       "<text text-anchor=\"middle\" x=\"8088.62\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">type</text>\n",
-       "</g>\n",
-       "<!-- 98641ba9&#45;ae9f&#45;437f&#45;9479&#45;4da4777248f6 -->\n",
-       "<g id=\"node224\" class=\"node\">\n",
-       "<title>98641ba9&#45;ae9f&#45;437f&#45;9479&#45;4da4777248f6</title>\n",
-       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"8306.12,-281.25 8245.47,-281.25 8229.86,-245.25 8290.52,-245.25 8306.12,-281.25\"/>\n",
-       "<text text-anchor=\"middle\" x=\"8267.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">Pm&#45;3M</text>\n",
-       "</g>\n",
-       "<!-- CrystalStructure_3&#45;&gt;98641ba9&#45;ae9f&#45;437f&#45;9479&#45;4da4777248f6 -->\n",
-       "<g id=\"edge262\" class=\"edge\">\n",
-       "<title>CrystalStructure_3&#45;&gt;98641ba9&#45;ae9f&#45;437f&#45;9479&#45;4da4777248f6</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M8062.79,-197.59C8065.55,-198.29 8068.3,-198.94 8070.99,-199.5 8107.31,-207.11 8205.1,-198.53 8236.99,-217.5 8244.25,-221.82 8250.22,-228.57 8254.92,-235.54\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"8252.4,-237.16 8260.53,-243.96 8258.42,-233.58 8252.4,-237.16\"/>\n",
-       "<text text-anchor=\"middle\" x=\"8306.37\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasSpaceGroupSymbol</text>\n",
-       "</g>\n",
-       "<!-- 4bdf303e&#45;07c9&#45;441d&#45;b4eb&#45;688e6cacdafd -->\n",
-       "<g id=\"node225\" class=\"node\">\n",
-       "<title>4bdf303e&#45;07c9&#45;441d&#45;b4eb&#45;688e6cacdafd</title>\n",
-       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"7888.98,-281.25 7844.46,-281.25 7833,-245.25 7877.53,-245.25 7888.98,-281.25\"/>\n",
-       "<text text-anchor=\"middle\" x=\"7860.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">L12</text>\n",
-       "</g>\n",
-       "<!-- CrystalStructure_3&#45;&gt;4bdf303e&#45;07c9&#45;441d&#45;b4eb&#45;688e6cacdafd -->\n",
-       "<g id=\"edge263\" class=\"edge\">\n",
-       "<title>CrystalStructure_3&#45;&gt;4bdf303e&#45;07c9&#45;441d&#45;b4eb&#45;688e6cacdafd</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M7971,-195.31C7965.61,-196.75 7960.18,-198.18 7954.99,-199.5 7921.14,-208.12 7904.88,-194.61 7878.49,-217.5 7873.2,-222.09 7869.5,-228.49 7866.91,-235.01\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"7863.39,-233.53 7863.69,-244.12 7870.06,-235.65 7863.39,-233.53\"/>\n",
-       "<text text-anchor=\"middle\" x=\"7914.24\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasAltName</text>\n",
-       "</g>\n",
-       "<!-- b0a7f1ba&#45;37d3&#45;4329&#45;a031&#45;03451661ae91 -->\n",
-       "<g id=\"node249\" class=\"node\">\n",
-       "<title>b0a7f1ba&#45;37d3&#45;4329&#45;a031&#45;03451661ae91</title>\n",
-       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"7982.98,-281.25 7938.46,-281.25 7927,-245.25 7971.53,-245.25 7982.98,-281.25\"/>\n",
-       "<text text-anchor=\"middle\" x=\"7954.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">221</text>\n",
-       "</g>\n",
-       "<!-- CrystalStructure_3&#45;&gt;b0a7f1ba&#45;37d3&#45;4329&#45;a031&#45;03451661ae91 -->\n",
-       "<g id=\"edge315\" class=\"edge\">\n",
-       "<title>CrystalStructure_3&#45;&gt;b0a7f1ba&#45;37d3&#45;4329&#45;a031&#45;03451661ae91</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M7973.89,-199.95C7966.99,-204.64 7960.73,-210.42 7956.49,-217.5 7953.52,-222.46 7952.15,-228.31 7951.7,-234.12\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"7948.21,-234.02 7951.79,-243.99 7955.21,-233.96 7948.21,-234.02\"/>\n",
-       "<text text-anchor=\"middle\" x=\"8016.24\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasSpaceGroupNumber</text>\n",
-       "</g>\n",
-       "<!-- UnitCell_3LatticeAngle -->\n",
-       "<g id=\"node75\" class=\"node\">\n",
-       "<title>UnitCell_3LatticeAngle</title>\n",
-       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"8236.74,-363 8129.24,-363 8129.24,-327 8236.74,-327 8236.74,-363\"/>\n",
-       "<text text-anchor=\"middle\" x=\"8182.99\" y=\"-342.27\" font-family=\"Times,serif\" font-size=\"8.00\">UnitCell_3LatticeAngle</text>\n",
+       "<!-- sample_1_SimulationCellAngle&#45;&gt;21ca695c&#45;4254&#45;4f24&#45;985f&#45;1524c9dc8db5 -->\n",
+       "<g id=\"edge23\" class=\"edge\">\n",
+       "<title>sample_1_SimulationCellAngle&#45;&gt;21ca695c&#45;4254&#45;4f24&#45;985f&#45;1524c9dc8db5</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M1298.74,-197.31C1321.09,-203.19 1342.36,-210.26 1350.99,-217.5 1356.35,-221.99 1360.51,-228.1 1363.71,-234.36\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"1360.43,-235.59 1367.6,-243.38 1366.85,-232.81 1360.43,-235.59\"/>\n",
+       "<text text-anchor=\"middle\" x=\"1402.37\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasAngle_alpha</text>\n",
        "</g>\n",
-       "<!-- UnitCell_3&#45;&gt;UnitCell_3LatticeAngle -->\n",
-       "<g id=\"edge131\" class=\"edge\">\n",
-       "<title>UnitCell_3&#45;&gt;UnitCell_3LatticeAngle</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M8182.99,-281.55C8182.99,-291.59 8182.99,-304.46 8182.99,-315.91\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"8179.49,-315.73 8182.99,-325.73 8186.49,-315.73 8179.49,-315.73\"/>\n",
-       "<text text-anchor=\"middle\" x=\"8212.62\" y=\"-301.4\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasAngle</text>\n",
+       "<!-- 7c401959&#45;b814&#45;4ac4&#45;b4ca&#45;42fe6f439a95 -->\n",
+       "<g id=\"node73\" class=\"node\">\n",
+       "<title>7c401959&#45;b814&#45;4ac4&#45;b4ca&#45;42fe6f439a95</title>\n",
+       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"1549.64,-281.25 1504.07,-281.25 1492.34,-245.25 1537.92,-245.25 1549.64,-281.25\"/>\n",
+       "<text text-anchor=\"middle\" x=\"1520.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">90.0</text>\n",
        "</g>\n",
-       "<!-- UnitCell_3LatticeParameter -->\n",
-       "<g id=\"node80\" class=\"node\">\n",
-       "<title>UnitCell_3LatticeParameter</title>\n",
-       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"9175.74,-363 9050.24,-363 9050.24,-327 9175.74,-327 9175.74,-363\"/>\n",
-       "<text text-anchor=\"middle\" x=\"9112.99\" y=\"-342.27\" font-family=\"Times,serif\" font-size=\"8.00\">UnitCell_3LatticeParameter</text>\n",
+       "<!-- sample_1_SimulationCellAngle&#45;&gt;7c401959&#45;b814&#45;4ac4&#45;b4ca&#45;42fe6f439a95 -->\n",
+       "<g id=\"edge48\" class=\"edge\">\n",
+       "<title>sample_1_SimulationCellAngle&#45;&gt;7c401959&#45;b814&#45;4ac4&#45;b4ca&#45;42fe6f439a95</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M1298.81,-197.97C1301.91,-198.52 1304.98,-199.03 1307.99,-199.5 1350.12,-206.05 1463.9,-193.29 1498.99,-217.5 1505.07,-221.69 1509.54,-228.06 1512.8,-234.69\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"1509.43,-235.68 1516.42,-243.64 1515.92,-233.06 1509.43,-235.68\"/>\n",
+       "<text text-anchor=\"middle\" x=\"1555.12\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasAngle_gamma</text>\n",
        "</g>\n",
-       "<!-- UnitCell_3&#45;&gt;UnitCell_3LatticeParameter -->\n",
-       "<g id=\"edge199\" class=\"edge\">\n",
-       "<title>UnitCell_3&#45;&gt;UnitCell_3LatticeParameter</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M8212.09,-278.48C8215.05,-279.56 8218.05,-280.51 8220.99,-281.25 8375.21,-319.88 8853.63,-336.86 9038.77,-342.11\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"9038.65,-345.64 9048.75,-342.42 9038.85,-338.64 9038.65,-345.64\"/>\n",
-       "<text text-anchor=\"middle\" x=\"8458.87\" y=\"-301.4\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasLatticeParamter</text>\n",
+       "<!-- 73258895&#45;a388&#45;4844&#45;be2d&#45;f482d8437e54 -->\n",
+       "<g id=\"node126\" class=\"node\">\n",
+       "<title>73258895&#45;a388&#45;4844&#45;be2d&#45;f482d8437e54</title>\n",
+       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"1664.64,-281.25 1619.07,-281.25 1607.34,-245.25 1652.92,-245.25 1664.64,-281.25\"/>\n",
+       "<text text-anchor=\"middle\" x=\"1635.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">90.0</text>\n",
        "</g>\n",
-       "<!-- UnitCell_3&#45;&gt;cmso.UnitCell -->\n",
-       "<g id=\"edge149\" class=\"edge\">\n",
-       "<title>UnitCell_3&#45;&gt;cmso.UnitCell</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M8211.98,-278.11C8223.06,-283.98 8235.54,-291.29 8245.99,-299.25 8253.6,-305.04 8261.15,-312.11 8267.8,-318.91\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"8264.73,-320.81 8274.14,-325.67 8269.81,-316 8264.73,-320.81\"/>\n",
-       "<text text-anchor=\"middle\" x=\"8265.62\" y=\"-301.4\" font-family=\"Times,serif\" font-size=\"8.00\">type</text>\n",
+       "<!-- sample_1_SimulationCellAngle&#45;&gt;73258895&#45;a388&#45;4844&#45;be2d&#45;f482d8437e54 -->\n",
+       "<g id=\"edge122\" class=\"edge\">\n",
+       "<title>sample_1_SimulationCellAngle&#45;&gt;73258895&#45;a388&#45;4844&#45;be2d&#45;f482d8437e54</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M1298.79,-198.1C1301.89,-198.61 1304.97,-199.08 1307.99,-199.5 1373.49,-208.57 1547.37,-185.06 1604.99,-217.5 1612.35,-221.64 1618.35,-228.35 1623.04,-235.32\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"1619.76,-236.65 1627.87,-243.48 1625.79,-233.09 1619.76,-236.65\"/>\n",
+       "<text text-anchor=\"middle\" x=\"1657.12\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasAngle_beta</text>\n",
        "</g>\n",
-       "<!-- wiki.Q3006714 -->\n",
-       "<g id=\"node189\" class=\"node\">\n",
-       "<title>wiki.Q3006714</title>\n",
-       "<polygon fill=\"#ffffcc\" stroke=\"#ffffcc\" points=\"6650.74,-363 6573.24,-363 6573.24,-327 6650.74,-327 6650.74,-363\"/>\n",
-       "<text text-anchor=\"middle\" x=\"6611.99\" y=\"-342.27\" font-family=\"Times,serif\" font-size=\"8.00\">wiki.Q3006714</text>\n",
+       "<!-- cmso.Angle -->\n",
+       "<g id=\"node77\" class=\"node\">\n",
+       "<title>cmso.Angle</title>\n",
+       "<polygon fill=\"#ffffcc\" stroke=\"#ffffcc\" points=\"3981.87,-526.5 3920.12,-526.5 3920.12,-490.5 3981.87,-490.5 3981.87,-526.5\"/>\n",
+       "<text text-anchor=\"middle\" x=\"3950.99\" y=\"-505.77\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.Angle</text>\n",
        "</g>\n",
-       "<!-- UnitCell_3&#45;&gt;wiki.Q3006714 -->\n",
-       "<g id=\"edge197\" class=\"edge\">\n",
-       "<title>UnitCell_3&#45;&gt;wiki.Q3006714</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M8153.94,-278.66C8150.97,-279.7 8147.96,-280.6 8144.99,-281.25 8002.71,-312.65 6978.63,-283.77 6833.74,-299.25 6773.85,-305.65 6706.14,-320.44 6661.47,-331.27\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"6660.78,-328.08 6651.91,-333.86 6662.45,-334.88 6660.78,-328.08\"/>\n",
-       "<text text-anchor=\"middle\" x=\"6880.12\" y=\"-301.4\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasBravaisLattice</text>\n",
+       "<!-- cmso.SimulationCellAngle&#45;&gt;cmso.Angle -->\n",
+       "<g id=\"edge211\" class=\"edge\">\n",
+       "<title>cmso.SimulationCellAngle&#45;&gt;cmso.Angle</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M3950.06,-281.74C3950.23,-323.21 3950.66,-427.78 3950.87,-478.72\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"3947.37,-478.67 3950.91,-488.65 3954.37,-478.64 3947.37,-478.67\"/>\n",
+       "<text text-anchor=\"middle\" x=\"3973.12\" y=\"-383.15\" font-family=\"Times,serif\" font-size=\"8.00\">subClassOf</text>\n",
        "</g>\n",
-       "<!-- SimulationCell_2Length -->\n",
-       "<g id=\"node28\" class=\"node\">\n",
-       "<title>SimulationCell_2Length</title>\n",
-       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"1602.24,-199.5 1491.74,-199.5 1491.74,-163.5 1602.24,-163.5 1602.24,-199.5\"/>\n",
-       "<text text-anchor=\"middle\" x=\"1546.99\" y=\"-178.78\" font-family=\"Times,serif\" font-size=\"8.00\">SimulationCell_2Length</text>\n",
+       "<!-- sample_2_SimulationCellVector_1 -->\n",
+       "<g id=\"node27\" class=\"node\">\n",
+       "<title>sample_2_SimulationCellVector_1</title>\n",
+       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"7360.99,-199.5 7212.99,-199.5 7212.99,-163.5 7360.99,-163.5 7360.99,-199.5\"/>\n",
+       "<text text-anchor=\"middle\" x=\"7286.99\" y=\"-178.78\" font-family=\"Times,serif\" font-size=\"8.00\">sample_2_SimulationCellVector_1</text>\n",
        "</g>\n",
-       "<!-- cd487803&#45;ee93&#45;44e3&#45;a5bf&#45;3df283a27da7 -->\n",
-       "<g id=\"node29\" class=\"node\">\n",
-       "<title>cd487803&#45;ee93&#45;44e3&#45;a5bf&#45;3df283a27da7</title>\n",
-       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"1479.64,-281.25 1434.07,-281.25 1422.34,-245.25 1467.92,-245.25 1479.64,-281.25\"/>\n",
-       "<text text-anchor=\"middle\" x=\"1450.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">5.43</text>\n",
+       "<!-- sample_2_SimulationCellVector_1&#45;&gt;cmso.SimulationCellVector -->\n",
+       "<g id=\"edge54\" class=\"edge\">\n",
+       "<title>sample_2_SimulationCellVector_1&#45;&gt;cmso.SimulationCellVector</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M7212.88,-198.34C7209.89,-198.77 7206.91,-199.16 7203.99,-199.5 6935.79,-230.7 6864.95,-186.38 6596.74,-217.5 6575.23,-220 6570.54,-225.01 6548.99,-227.25 6178.79,-265.66 3589.49,-200.23 3170.98,-245.15\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"3170.84,-241.65 3161.3,-246.27 3171.64,-248.6 3170.84,-241.65\"/>\n",
+       "<text text-anchor=\"middle\" x=\"6604.62\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">type</text>\n",
+       "</g>\n",
+       "<!-- 03b5ec70&#45;b15c&#45;4cb2&#45;b998&#45;62c350e61580 -->\n",
+       "<g id=\"node28\" class=\"node\">\n",
+       "<title>03b5ec70&#45;b15c&#45;4cb2&#45;b998&#45;62c350e61580</title>\n",
+       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"7345.98,-281.25 7301.46,-281.25 7290,-245.25 7334.53,-245.25 7345.98,-281.25\"/>\n",
+       "<text text-anchor=\"middle\" x=\"7317.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">0.0</text>\n",
        "</g>\n",
-       "<!-- SimulationCell_2Length&#45;&gt;cd487803&#45;ee93&#45;44e3&#45;a5bf&#45;3df283a27da7 -->\n",
+       "<!-- sample_2_SimulationCellVector_1&#45;&gt;03b5ec70&#45;b15c&#45;4cb2&#45;b998&#45;62c350e61580 -->\n",
        "<g id=\"edge15\" class=\"edge\">\n",
-       "<title>SimulationCell_2Length&#45;&gt;cd487803&#45;ee93&#45;44e3&#45;a5bf&#45;3df283a27da7</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M1494.88,-199.89C1485.89,-204.58 1477.21,-210.38 1470.24,-217.5 1465.54,-222.3 1461.91,-228.43 1459.13,-234.6\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"1455.53,-233.21 1455.22,-243.8 1462.06,-235.72 1455.53,-233.21\"/>\n",
-       "<text text-anchor=\"middle\" x=\"1507.37\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasLength_z</text>\n",
+       "<title>sample_2_SimulationCellVector_1&#45;&gt;03b5ec70&#45;b15c&#45;4cb2&#45;b998&#45;62c350e61580</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M7293.72,-199.8C7297.66,-209.94 7302.73,-222.98 7307.21,-234.52\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"7303.85,-235.52 7310.73,-243.57 7310.37,-232.98 7303.85,-235.52\"/>\n",
+       "<text text-anchor=\"middle\" x=\"7348.99\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasComponent_z</text>\n",
        "</g>\n",
-       "<!-- SimulationCell_2Length&#45;&gt;cmso.SimulationCellLength -->\n",
-       "<g id=\"edge44\" class=\"edge\">\n",
-       "<title>SimulationCell_2Length&#45;&gt;cmso.SimulationCellLength</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M1602.47,-185.86C1673.81,-189.99 1801.58,-196.81 1910.99,-199.5 2117.38,-204.57 9138.51,-189.1 9342.99,-217.5 9358.88,-219.71 9361.88,-224.84 9377.74,-227.25 9650.83,-268.82 9727.69,-210.01 10004.99,-245.19\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"10004.42,-248.77 10014.79,-246.59 10005.33,-241.83 10004.42,-248.77\"/>\n",
-       "<text text-anchor=\"middle\" x=\"9386.62\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">type</text>\n",
+       "<!-- f609c7cc&#45;b4ae&#45;450b&#45;8b78&#45;241e9ce5be66 -->\n",
+       "<g id=\"node115\" class=\"node\">\n",
+       "<title>f609c7cc&#45;b4ae&#45;450b&#45;8b78&#45;241e9ce5be66</title>\n",
+       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"7458.98,-281.25 7414.46,-281.25 7403,-245.25 7447.53,-245.25 7458.98,-281.25\"/>\n",
+       "<text text-anchor=\"middle\" x=\"7430.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">0.0</text>\n",
        "</g>\n",
-       "<!-- f42a404f&#45;595d&#45;433a&#45;8427&#45;8d9236b80568 -->\n",
-       "<g id=\"node47\" class=\"node\">\n",
-       "<title>f42a404f&#45;595d&#45;433a&#45;8427&#45;8d9236b80568</title>\n",
-       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"1575.64,-281.25 1530.07,-281.25 1518.34,-245.25 1563.92,-245.25 1575.64,-281.25\"/>\n",
-       "<text text-anchor=\"middle\" x=\"1546.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">5.43</text>\n",
+       "<!-- sample_2_SimulationCellVector_1&#45;&gt;f609c7cc&#45;b4ae&#45;450b&#45;8b78&#45;241e9ce5be66 -->\n",
+       "<g id=\"edge103\" class=\"edge\">\n",
+       "<title>sample_2_SimulationCellVector_1&#45;&gt;f609c7cc&#45;b4ae&#45;450b&#45;8b78&#45;241e9ce5be66</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M7361.44,-198.8C7374.32,-203.57 7387.06,-209.69 7397.99,-217.5 7404.64,-222.25 7410.5,-228.75 7415.37,-235.33\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"7412.43,-237.23 7420.92,-243.57 7418.23,-233.32 7412.43,-237.23\"/>\n",
+       "<text text-anchor=\"middle\" x=\"7452.99\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasComponent_y</text>\n",
        "</g>\n",
-       "<!-- SimulationCell_2Length&#45;&gt;f42a404f&#45;595d&#45;433a&#45;8427&#45;8d9236b80568 -->\n",
-       "<g id=\"edge29\" class=\"edge\">\n",
-       "<title>SimulationCell_2Length&#45;&gt;f42a404f&#45;595d&#45;433a&#45;8427&#45;8d9236b80568</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M1546.99,-199.8C1546.99,-209.84 1546.99,-222.71 1546.99,-234.16\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"1543.49,-233.98 1546.99,-243.98 1550.49,-233.98 1543.49,-233.98\"/>\n",
-       "<text text-anchor=\"middle\" x=\"1583.37\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasLength_x</text>\n",
-       "</g>\n",
-       "<!-- 4d224421&#45;c601&#45;4e89&#45;8b61&#45;659fcb16a950 -->\n",
-       "<g id=\"node248\" class=\"node\">\n",
-       "<title>4d224421&#45;c601&#45;4e89&#45;8b61&#45;659fcb16a950</title>\n",
-       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"1671.64,-281.25 1626.07,-281.25 1614.34,-245.25 1659.92,-245.25 1671.64,-281.25\"/>\n",
-       "<text text-anchor=\"middle\" x=\"1642.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">5.43</text>\n",
-       "</g>\n",
-       "<!-- SimulationCell_2Length&#45;&gt;4d224421&#45;c601&#45;4e89&#45;8b61&#45;659fcb16a950 -->\n",
-       "<g id=\"edge314\" class=\"edge\">\n",
-       "<title>SimulationCell_2Length&#45;&gt;4d224421&#45;c601&#45;4e89&#45;8b61&#45;659fcb16a950</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M1595.81,-199.82C1604.91,-204.57 1613.8,-210.42 1620.99,-217.5 1626.01,-222.44 1630.06,-228.77 1633.25,-235.09\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"1630.32,-236.11 1637.58,-243.83 1636.72,-233.27 1630.32,-236.11\"/>\n",
-       "<text text-anchor=\"middle\" x=\"1665.37\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasLength_y</text>\n",
-       "</g>\n",
-       "<!-- Material_1 -->\n",
-       "<g id=\"node30\" class=\"node\">\n",
-       "<title>Material_1</title>\n",
-       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"13373.99,-117.75 13315.99,-117.75 13315.99,-81.75 13373.99,-81.75 13373.99,-117.75\"/>\n",
-       "<text text-anchor=\"middle\" x=\"13344.99\" y=\"-97.03\" font-family=\"Times,serif\" font-size=\"8.00\">Material_1</text>\n",
+       "<!-- 17e5655e&#45;23cb&#45;43aa&#45;ba77&#45;e08bef6441dc -->\n",
+       "<g id=\"node166\" class=\"node\">\n",
+       "<title>17e5655e&#45;23cb&#45;43aa&#45;ba77&#45;e08bef6441dc</title>\n",
+       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"7193.64,-281.25 7148.07,-281.25 7136.34,-245.25 7181.92,-245.25 7193.64,-281.25\"/>\n",
+       "<text text-anchor=\"middle\" x=\"7164.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">5.43</text>\n",
        "</g>\n",
-       "<!-- cmso.CrystallineMaterial -->\n",
-       "<g id=\"node31\" class=\"node\">\n",
-       "<title>cmso.CrystallineMaterial</title>\n",
-       "<polygon fill=\"#ffffcc\" stroke=\"#ffffcc\" points=\"7732.74,-199.5 7619.24,-199.5 7619.24,-163.5 7732.74,-163.5 7732.74,-199.5\"/>\n",
-       "<text text-anchor=\"middle\" x=\"7675.99\" y=\"-178.78\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.CrystallineMaterial</text>\n",
+       "<!-- sample_2_SimulationCellVector_1&#45;&gt;17e5655e&#45;23cb&#45;43aa&#45;ba77&#45;e08bef6441dc -->\n",
+       "<g id=\"edge190\" class=\"edge\">\n",
+       "<title>sample_2_SimulationCellVector_1&#45;&gt;17e5655e&#45;23cb&#45;43aa&#45;ba77&#45;e08bef6441dc</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M7214.01,-199.92C7190.48,-206.24 7169.49,-212.95 7165.99,-217.5 7162.41,-222.15 7160.86,-227.96 7160.45,-233.83\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"7156.93,-233.53 7160.78,-243.41 7163.93,-233.29 7156.93,-233.53\"/>\n",
+       "<text text-anchor=\"middle\" x=\"7210.99\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasComponent_x</text>\n",
        "</g>\n",
-       "<!-- Material_1&#45;&gt;cmso.CrystallineMaterial -->\n",
-       "<g id=\"edge16\" class=\"edge\">\n",
-       "<title>Material_1&#45;&gt;cmso.CrystallineMaterial</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M13315.71,-101.33C13204.63,-103.52 12798.58,-111.51 12463.99,-117.75 12019.89,-126.03 11908.73,-122.57 11464.74,-135.75 11359.92,-138.86 11333.83,-143.06 11228.99,-145.5 11038.16,-149.94 8024.35,-138.98 7743.75,-163.75\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"7743.64,-160.35 7734.06,-164.88 7744.37,-167.31 7743.64,-160.35\"/>\n",
-       "<text text-anchor=\"middle\" x=\"11473.62\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">type</text>\n",
+       "<!-- sample_3_SimulationCell -->\n",
+       "<g id=\"node29\" class=\"node\">\n",
+       "<title>sample_3_SimulationCell</title>\n",
+       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"3602.74,-117.75 3489.24,-117.75 3489.24,-81.75 3602.74,-81.75 3602.74,-117.75\"/>\n",
+       "<text text-anchor=\"middle\" x=\"3545.99\" y=\"-97.03\" font-family=\"Times,serif\" font-size=\"8.00\">sample_3_SimulationCell</text>\n",
        "</g>\n",
-       "<!-- CrystalStructure_1 -->\n",
-       "<g id=\"node42\" class=\"node\">\n",
-       "<title>CrystalStructure_1</title>\n",
-       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"13714.49,-199.5 13623.49,-199.5 13623.49,-163.5 13714.49,-163.5 13714.49,-199.5\"/>\n",
-       "<text text-anchor=\"middle\" x=\"13668.99\" y=\"-178.78\" font-family=\"Times,serif\" font-size=\"8.00\">CrystalStructure_1</text>\n",
+       "<!-- sample_3_SimulationCell&#45;&gt;sample_3_SimulationCellAngle -->\n",
+       "<g id=\"edge197\" class=\"edge\">\n",
+       "<title>sample_3_SimulationCell&#45;&gt;sample_3_SimulationCellAngle</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M3602.94,-101.15C3636.33,-104.1 3677.59,-112.75 3706.99,-135.75 3712.58,-140.12 3716.85,-146.29 3720.07,-152.65\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"3716.84,-154 3723.95,-161.85 3723.29,-151.28 3716.84,-154\"/>\n",
+       "<text text-anchor=\"middle\" x=\"3745.62\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasAngle</text>\n",
        "</g>\n",
-       "<!-- Material_1&#45;&gt;CrystalStructure_1 -->\n",
-       "<g id=\"edge24\" class=\"edge\">\n",
-       "<title>Material_1&#45;&gt;CrystalStructure_1</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M13374.32,-107.97C13428.1,-121.21 13543.35,-149.58 13612.71,-166.65\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"13611.47,-170.19 13622.02,-169.18 13613.14,-163.39 13611.47,-170.19\"/>\n",
-       "<text text-anchor=\"middle\" x=\"13563.12\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasStructure</text>\n",
-       "</g>\n",
-       "<!-- b617e261&#45;4fc5&#45;4e2d&#45;9a96&#45;8c43791588e8 -->\n",
-       "<g id=\"node232\" class=\"node\">\n",
-       "<title>b617e261&#45;4fc5&#45;4e2d&#45;9a96&#45;8c43791588e8</title>\n",
-       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"13809.12,-199.5 13748.47,-199.5 13732.86,-163.5 13793.52,-163.5 13809.12,-199.5\"/>\n",
-       "<text text-anchor=\"middle\" x=\"13770.99\" y=\"-178.78\" font-family=\"Times,serif\" font-size=\"8.00\">Fe=1.0</text>\n",
-       "</g>\n",
-       "<!-- Material_1&#45;&gt;b617e261&#45;4fc5&#45;4e2d&#45;9a96&#45;8c43791588e8 -->\n",
-       "<g id=\"edge270\" class=\"edge\">\n",
-       "<title>Material_1&#45;&gt;b617e261&#45;4fc5&#45;4e2d&#45;9a96&#45;8c43791588e8</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M13374.06,-103.11C13436.66,-108.7 13588.72,-125.05 13723.2,-163.49\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"13722.09,-167.11 13732.67,-166.54 13724.05,-160.39 13722.09,-167.11\"/>\n",
-       "<text text-anchor=\"middle\" x=\"13696.62\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasElementRatio</text>\n",
-       "</g>\n",
-       "<!-- Atom_1_1 -->\n",
-       "<g id=\"node32\" class=\"node\">\n",
-       "<title>Atom_1_1</title>\n",
-       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"11030.49,-117.75 10975.49,-117.75 10975.49,-81.75 11030.49,-81.75 11030.49,-117.75\"/>\n",
-       "<text text-anchor=\"middle\" x=\"11002.99\" y=\"-97.03\" font-family=\"Times,serif\" font-size=\"8.00\">Atom_1_1</text>\n",
+       "<!-- sample_3_SimulationCellVector_2 -->\n",
+       "<g id=\"node30\" class=\"node\">\n",
+       "<title>sample_3_SimulationCellVector_2</title>\n",
+       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"3048.99,-199.5 2900.99,-199.5 2900.99,-163.5 3048.99,-163.5 3048.99,-199.5\"/>\n",
+       "<text text-anchor=\"middle\" x=\"2974.99\" y=\"-178.78\" font-family=\"Times,serif\" font-size=\"8.00\">sample_3_SimulationCellVector_2</text>\n",
+       "</g>\n",
+       "<!-- sample_3_SimulationCell&#45;&gt;sample_3_SimulationCellVector_2 -->\n",
+       "<g id=\"edge16\" class=\"edge\">\n",
+       "<title>sample_3_SimulationCell&#45;&gt;sample_3_SimulationCellVector_2</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M3488.81,-106.16C3425.16,-112.39 3319.29,-123.36 3228.49,-135.75 3155.84,-145.66 3135.32,-149.3 3060.15,-163.13\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"3059.86,-159.62 3050.66,-164.88 3061.13,-166.51 3059.86,-159.62\"/>\n",
+       "<text text-anchor=\"middle\" x=\"3259.74\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasVector</text>\n",
        "</g>\n",
-       "<!-- Atom_1_1_Position -->\n",
+       "<!-- sample_3_SimulationCellVector_1 -->\n",
        "<g id=\"node33\" class=\"node\">\n",
-       "<title>Atom_1_1_Position</title>\n",
-       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"11190.74,-199.5 11101.24,-199.5 11101.24,-163.5 11190.74,-163.5 11190.74,-199.5\"/>\n",
-       "<text text-anchor=\"middle\" x=\"11145.99\" y=\"-178.78\" font-family=\"Times,serif\" font-size=\"8.00\">Atom_1_1_Position</text>\n",
+       "<title>sample_3_SimulationCellVector_1</title>\n",
+       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"3214.99,-199.5 3066.99,-199.5 3066.99,-163.5 3214.99,-163.5 3214.99,-199.5\"/>\n",
+       "<text text-anchor=\"middle\" x=\"3140.99\" y=\"-178.78\" font-family=\"Times,serif\" font-size=\"8.00\">sample_3_SimulationCellVector_1</text>\n",
        "</g>\n",
-       "<!-- Atom_1_1&#45;&gt;Atom_1_1_Position -->\n",
-       "<g id=\"edge17\" class=\"edge\">\n",
-       "<title>Atom_1_1&#45;&gt;Atom_1_1_Position</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M11030.97,-102.45C11057.63,-105.42 11097.52,-113.55 11123.99,-135.75 11129.48,-140.35 11133.71,-146.65 11136.94,-153.06\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"11134.05,-154.21 11141.2,-162.02 11140.48,-151.45 11134.05,-154.21\"/>\n",
-       "<text text-anchor=\"middle\" x=\"11179.12\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasPositionVector</text>\n",
+       "<!-- sample_3_SimulationCell&#45;&gt;sample_3_SimulationCellVector_1 -->\n",
+       "<g id=\"edge208\" class=\"edge\">\n",
+       "<title>sample_3_SimulationCell&#45;&gt;sample_3_SimulationCellVector_1</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M3488.92,-109.35C3446.7,-115.93 3387.86,-125.59 3336.49,-135.75 3299.35,-143.1 3258.49,-152.28 3223.77,-160.4\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"3223.14,-156.96 3214.2,-162.66 3224.74,-163.77 3223.14,-156.96\"/>\n",
+       "<text text-anchor=\"middle\" x=\"3367.74\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasVector</text>\n",
        "</g>\n",
-       "<!-- Atom_1_1&#45;&gt;cmso.Atom -->\n",
-       "<g id=\"edge19\" class=\"edge\">\n",
-       "<title>Atom_1_1&#45;&gt;cmso.Atom</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M10975.07,-101.06C10684.66,-104.24 8226.45,-131.3 8208.74,-135.75 8199.63,-138.04 8199.11,-143.24 8189.99,-145.5 8055.62,-178.86 5834.7,-141.61 5697.99,-163.5 5693.87,-164.16 5689.63,-165.08 5685.43,-166.16\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"5684.81,-162.98 5676.16,-169.09 5686.73,-169.71 5684.81,-162.98\"/>\n",
-       "<text text-anchor=\"middle\" x=\"8217.62\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">type</text>\n",
+       "<!-- sample_3_SimulationCellLength -->\n",
+       "<g id=\"node38\" class=\"node\">\n",
+       "<title>sample_3_SimulationCellLength</title>\n",
+       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"3374.99,-199.5 3232.99,-199.5 3232.99,-163.5 3374.99,-163.5 3374.99,-199.5\"/>\n",
+       "<text text-anchor=\"middle\" x=\"3303.99\" y=\"-178.78\" font-family=\"Times,serif\" font-size=\"8.00\">sample_3_SimulationCellLength</text>\n",
        "</g>\n",
-       "<!-- Atom_1_1_Element -->\n",
-       "<g id=\"node123\" class=\"node\">\n",
-       "<title>Atom_1_1_Element</title>\n",
-       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"10956.87,-199.5 10865.12,-199.5 10865.12,-163.5 10956.87,-163.5 10956.87,-199.5\"/>\n",
-       "<text text-anchor=\"middle\" x=\"10910.99\" y=\"-178.78\" font-family=\"Times,serif\" font-size=\"8.00\">Atom_1_1_Element</text>\n",
-       "</g>\n",
-       "<!-- Atom_1_1&#45;&gt;Atom_1_1_Element -->\n",
-       "<g id=\"edge215\" class=\"edge\">\n",
-       "<title>Atom_1_1&#45;&gt;Atom_1_1_Element</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M10975.1,-108.75C10960.1,-114.27 10942.23,-122.95 10929.99,-135.75 10925.36,-140.6 10921.77,-146.75 10919.03,-152.92\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"10915.44,-151.52 10915.17,-162.11 10921.98,-154 10915.44,-151.52\"/>\n",
-       "<text text-anchor=\"middle\" x=\"10964.49\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasElement</text>\n",
-       "</g>\n",
-       "<!-- b932395a&#45;0fe4&#45;411d&#45;a00b&#45;841853001ed5 -->\n",
-       "<g id=\"node245\" class=\"node\">\n",
-       "<title>b932395a&#45;0fe4&#45;411d&#45;a00b&#45;841853001ed5</title>\n",
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-       "<text text-anchor=\"middle\" x=\"11002.99\" y=\"-178.78\" font-family=\"Times,serif\" font-size=\"8.00\">14</text>\n",
-       "</g>\n",
-       "<!-- Atom_1_1&#45;&gt;b932395a&#45;0fe4&#45;411d&#45;a00b&#45;841853001ed5 -->\n",
-       "<g id=\"edge306\" class=\"edge\">\n",
-       "<title>Atom_1_1&#45;&gt;b932395a&#45;0fe4&#45;411d&#45;a00b&#45;841853001ed5</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M11002.99,-118.05C11002.99,-128.09 11002.99,-140.96 11002.99,-152.41\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"10999.49,-152.23 11002.99,-162.23 11006.49,-152.23 10999.49,-152.23\"/>\n",
-       "<text text-anchor=\"middle\" x=\"11062.99\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasCoordinationNumber</text>\n",
-       "</g>\n",
-       "<!-- Atom_1_1_Position&#45;&gt;cmso.PositionVector -->\n",
-       "<g id=\"edge68\" class=\"edge\">\n",
-       "<title>Atom_1_1_Position&#45;&gt;cmso.PositionVector</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M11100.77,-191.11C11082.03,-194.32 11060.04,-197.64 11039.99,-199.5 10887.21,-213.68 10501.17,-192.75 10349.74,-217.5 10335.17,-219.88 10332.59,-225.03 10317.99,-227.25 10074.77,-264.25 6177.14,-209.53 5838.47,-245.41\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"5838.23,-242.04 5828.74,-246.76 5839.1,-248.99 5838.23,-242.04\"/>\n",
-       "<text text-anchor=\"middle\" x=\"10358.62\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">type</text>\n",
+       "<!-- sample_3_SimulationCell&#45;&gt;sample_3_SimulationCellLength -->\n",
+       "<g id=\"edge55\" class=\"edge\">\n",
+       "<title>sample_3_SimulationCell&#45;&gt;sample_3_SimulationCellLength</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M3489.02,-117.03C3469.73,-122.72 3448.11,-129.31 3428.49,-135.75 3406.38,-143.01 3382.26,-151.54 3361.2,-159.19\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"3360.1,-155.86 3351.91,-162.58 3362.5,-162.44 3360.1,-155.86\"/>\n",
+       "<text text-anchor=\"middle\" x=\"3461.24\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasLength</text>\n",
        "</g>\n",
-       "<!-- ad9a3be3&#45;ee84&#45;420c&#45;9e40&#45;11d337117861 -->\n",
-       "<g id=\"node93\" class=\"node\">\n",
-       "<title>ad9a3be3&#45;ee84&#45;420c&#45;9e40&#45;11d337117861</title>\n",
-       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"11371.07,-281.25 11318.45,-281.25 11304.92,-245.25 11357.53,-245.25 11371.07,-281.25\"/>\n",
-       "<text text-anchor=\"middle\" x=\"11337.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">1.435</text>\n",
+       "<!-- sample_3_SimulationCellVector_3 -->\n",
+       "<g id=\"node48\" class=\"node\">\n",
+       "<title>sample_3_SimulationCellVector_3</title>\n",
+       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"3540.99,-199.5 3392.99,-199.5 3392.99,-163.5 3540.99,-163.5 3540.99,-199.5\"/>\n",
+       "<text text-anchor=\"middle\" x=\"3466.99\" y=\"-178.78\" font-family=\"Times,serif\" font-size=\"8.00\">sample_3_SimulationCellVector_3</text>\n",
        "</g>\n",
-       "<!-- Atom_1_1_Position&#45;&gt;ad9a3be3&#45;ee84&#45;420c&#45;9e40&#45;11d337117861 -->\n",
-       "<g id=\"edge72\" class=\"edge\">\n",
-       "<title>Atom_1_1_Position&#45;&gt;ad9a3be3&#45;ee84&#45;420c&#45;9e40&#45;11d337117861</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M11191.04,-184.24C11224.51,-187.39 11270.04,-195.76 11303.99,-217.5 11311.39,-222.24 11317.79,-229.17 11322.97,-236.18\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"11320.38,-237.6 11328.88,-243.93 11326.19,-233.68 11320.38,-237.6\"/>\n",
-       "<text text-anchor=\"middle\" x=\"11359.99\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasComponent_x</text>\n",
+       "<!-- sample_3_SimulationCell&#45;&gt;sample_3_SimulationCellVector_3 -->\n",
+       "<g id=\"edge86\" class=\"edge\">\n",
+       "<title>sample_3_SimulationCell&#45;&gt;sample_3_SimulationCellVector_3</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M3524.86,-117.99C3518.46,-123.48 3511.53,-129.7 3505.49,-135.75 3499.52,-141.74 3493.4,-148.51 3487.84,-154.94\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"3485.45,-152.35 3481.67,-162.25 3490.8,-156.87 3485.45,-152.35\"/>\n",
+       "<text text-anchor=\"middle\" x=\"3536.74\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasVector</text>\n",
        "</g>\n",
-       "<!-- 85a3588e&#45;9ce2&#45;43ab&#45;b181&#45;fd9badb86512 -->\n",
-       "<g id=\"node149\" class=\"node\">\n",
-       "<title>85a3588e&#45;9ce2&#45;43ab&#45;b181&#45;fd9badb86512</title>\n",
-       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"11105.07,-281.25 11052.45,-281.25 11038.92,-245.25 11091.53,-245.25 11105.07,-281.25\"/>\n",
-       "<text text-anchor=\"middle\" x=\"11071.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">1.435</text>\n",
+       "<!-- cmso.SimulationCell -->\n",
+       "<g id=\"node85\" class=\"node\">\n",
+       "<title>cmso.SimulationCell</title>\n",
+       "<polygon fill=\"#ffffcc\" stroke=\"#ffffcc\" points=\"3910.74,-199.5 3815.24,-199.5 3815.24,-163.5 3910.74,-163.5 3910.74,-199.5\"/>\n",
+       "<text text-anchor=\"middle\" x=\"3862.99\" y=\"-178.78\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.SimulationCell</text>\n",
        "</g>\n",
-       "<!-- Atom_1_1_Position&#45;&gt;85a3588e&#45;9ce2&#45;43ab&#45;b181&#45;fd9badb86512 -->\n",
-       "<g id=\"edge137\" class=\"edge\">\n",
-       "<title>Atom_1_1_Position&#45;&gt;85a3588e&#45;9ce2&#45;43ab&#45;b181&#45;fd9badb86512</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M11100.84,-194.87C11089.93,-200.06 11079.55,-207.34 11072.99,-217.5 11069.86,-222.35 11068.46,-228.16 11068.06,-233.96\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"11064.58,-233.93 11068.3,-243.85 11071.58,-233.77 11064.58,-233.93\"/>\n",
-       "<text text-anchor=\"middle\" x=\"11117.99\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasComponent_y</text>\n",
+       "<!-- sample_3_SimulationCell&#45;&gt;cmso.SimulationCell -->\n",
+       "<g id=\"edge100\" class=\"edge\">\n",
+       "<title>sample_3_SimulationCell&#45;&gt;cmso.SimulationCell</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M3602.79,-103.88C3650.75,-107.78 3720.74,-116.49 3778.99,-135.75 3795.15,-141.09 3811.91,-149.38 3826.16,-157.38\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"3824.34,-160.37 3834.74,-162.35 3827.84,-154.31 3824.34,-160.37\"/>\n",
+       "<text text-anchor=\"middle\" x=\"3809.62\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">type</text>\n",
        "</g>\n",
-       "<!-- b984d291&#45;0d47&#45;4a47&#45;ac6f&#45;f96e1e0942a2 -->\n",
-       "<g id=\"node170\" class=\"node\">\n",
-       "<title>b984d291&#45;0d47&#45;4a47&#45;ac6f&#45;f96e1e0942a2</title>\n",
-       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"11258.07,-281.25 11205.45,-281.25 11191.92,-245.25 11244.53,-245.25 11258.07,-281.25\"/>\n",
-       "<text text-anchor=\"middle\" x=\"11224.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">1.435</text>\n",
+       "<!-- a6f84ec8&#45;89af&#45;49ed&#45;9175&#45;9539a6d552a4 -->\n",
+       "<g id=\"node161\" class=\"node\">\n",
+       "<title>a6f84ec8&#45;89af&#45;49ed&#45;9175&#45;9539a6d552a4</title>\n",
+       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"3642.91,-199.5 3576.23,-199.5 3559.07,-163.5 3625.76,-163.5 3642.91,-199.5\"/>\n",
+       "<text text-anchor=\"middle\" x=\"3600.99\" y=\"-178.78\" font-family=\"Times,serif\" font-size=\"8.00\">1228.48</text>\n",
        "</g>\n",
-       "<!-- Atom_1_1_Position&#45;&gt;b984d291&#45;0d47&#45;4a47&#45;ac6f&#45;f96e1e0942a2 -->\n",
-       "<g id=\"edge171\" class=\"edge\">\n",
-       "<title>Atom_1_1_Position&#45;&gt;b984d291&#45;0d47&#45;4a47&#45;ac6f&#45;f96e1e0942a2</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M11181.2,-199.83C11189.02,-204.79 11196.82,-210.72 11202.99,-217.5 11207.73,-222.71 11211.69,-229.13 11214.87,-235.46\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"11211.94,-236.48 11219.24,-244.16 11218.32,-233.6 11211.94,-236.48\"/>\n",
-       "<text text-anchor=\"middle\" x=\"11254.99\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasComponent_z</text>\n",
+       "<!-- sample_3_SimulationCell&#45;&gt;a6f84ec8&#45;89af&#45;49ed&#45;9175&#45;9539a6d552a4 -->\n",
+       "<g id=\"edge182\" class=\"edge\">\n",
+       "<title>sample_3_SimulationCell&#45;&gt;a6f84ec8&#45;89af&#45;49ed&#45;9175&#45;9539a6d552a4</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M3557.93,-118.05C3565.13,-128.51 3574.47,-142.04 3582.6,-153.84\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"3579.66,-155.74 3588.22,-161.98 3585.43,-151.76 3579.66,-155.74\"/>\n",
+       "<text text-anchor=\"middle\" x=\"3609.62\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasVolume</text>\n",
        "</g>\n",
-       "<!-- SimulationCell_3Vector02&#45;&gt;cmso.SimulationCellVector -->\n",
-       "<g id=\"edge18\" class=\"edge\">\n",
-       "<title>SimulationCell_3Vector02&#45;&gt;cmso.SimulationCellVector</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M10505.79,-194.17C10480.69,-199.94 10451.38,-207.77 10425.74,-217.5 10416.96,-220.83 10416.08,-224.89 10406.99,-227.25 10275.45,-261.42 9935.34,-228.13 9783.42,-245.2\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"9783.3,-241.82 9773.81,-246.52 9784.17,-248.76 9783.3,-241.82\"/>\n",
-       "<text text-anchor=\"middle\" x=\"10434.62\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">type</text>\n",
+       "<!-- sample_3_SimulationCellVector_2&#45;&gt;cmso.SimulationCellVector -->\n",
+       "<g id=\"edge118\" class=\"edge\">\n",
+       "<title>sample_3_SimulationCellVector_2&#45;&gt;cmso.SimulationCellVector</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M3001.9,-199.8C3019.69,-211.25 3043.23,-226.39 3062.68,-238.9\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"3060.56,-241.69 3070.87,-244.16 3064.35,-235.81 3060.56,-241.69\"/>\n",
+       "<text text-anchor=\"middle\" x=\"3053.62\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">type</text>\n",
        "</g>\n",
-       "<!-- ee9971ad&#45;856a&#45;423c&#45;ad92&#45;1570466fbffc -->\n",
-       "<g id=\"node120\" class=\"node\">\n",
-       "<title>ee9971ad&#45;856a&#45;423c&#45;ad92&#45;1570466fbffc</title>\n",
-       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"10705.98,-281.25 10661.46,-281.25 10650,-245.25 10694.53,-245.25 10705.98,-281.25\"/>\n",
-       "<text text-anchor=\"middle\" x=\"10677.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">0.0</text>\n",
+       "<!-- e438f418&#45;59d0&#45;4de8&#45;b171&#45;dcc3b36b074d -->\n",
+       "<g id=\"node89\" class=\"node\">\n",
+       "<title>e438f418&#45;59d0&#45;4de8&#45;b171&#45;dcc3b36b074d</title>\n",
+       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"2624.98,-281.25 2580.46,-281.25 2569,-245.25 2613.53,-245.25 2624.98,-281.25\"/>\n",
+       "<text text-anchor=\"middle\" x=\"2596.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">0.0</text>\n",
        "</g>\n",
-       "<!-- SimulationCell_3Vector02&#45;&gt;ee9971ad&#45;856a&#45;423c&#45;ad92&#45;1570466fbffc -->\n",
-       "<g id=\"edge97\" class=\"edge\">\n",
-       "<title>SimulationCell_3Vector02&#45;&gt;ee9971ad&#45;856a&#45;423c&#45;ad92&#45;1570466fbffc</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M10624.03,-197.8C10635.55,-202.74 10646.87,-209.16 10655.99,-217.5 10661.28,-222.33 10665.44,-228.71 10668.66,-235.13\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"10665.77,-236.26 10672.96,-244.04 10672.19,-233.48 10665.77,-236.26\"/>\n",
-       "<text text-anchor=\"middle\" x=\"10708.99\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasComponent_x</text>\n",
-       "</g>\n",
-       "<!-- f286cb1d&#45;c485&#45;4df9&#45;aede&#45;3a08a81eefbe -->\n",
-       "<g id=\"node219\" class=\"node\">\n",
-       "<title>f286cb1d&#45;c485&#45;4df9&#45;aede&#45;3a08a81eefbe</title>\n",
-       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"10899.64,-281.25 10854.07,-281.25 10842.34,-245.25 10887.92,-245.25 10899.64,-281.25\"/>\n",
-       "<text text-anchor=\"middle\" x=\"10870.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">3.57</text>\n",
-       "</g>\n",
-       "<!-- SimulationCell_3Vector02&#45;&gt;f286cb1d&#45;c485&#45;4df9&#45;aede&#45;3a08a81eefbe -->\n",
-       "<g id=\"edge255\" class=\"edge\">\n",
-       "<title>SimulationCell_3Vector02&#45;&gt;f286cb1d&#45;c485&#45;4df9&#45;aede&#45;3a08a81eefbe</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M10624.47,-183.31C10696.93,-185.39 10814.03,-192.63 10848.99,-217.5 10855.15,-221.88 10859.67,-228.48 10862.95,-235.28\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"10859.94,-236.17 10866.92,-244.14 10866.43,-233.56 10859.94,-236.17\"/>\n",
-       "<text text-anchor=\"middle\" x=\"10903.99\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasComponent_y</text>\n",
-       "</g>\n",
-       "<!-- 4d85ba26&#45;4e3e&#45;43d0&#45;a256&#45;16395c4dee25 -->\n",
-       "<g id=\"node229\" class=\"node\">\n",
-       "<title>4d85ba26&#45;4e3e&#45;43d0&#45;a256&#45;16395c4dee25</title>\n",
-       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"10592.98,-281.25 10548.46,-281.25 10537,-245.25 10581.53,-245.25 10592.98,-281.25\"/>\n",
-       "<text text-anchor=\"middle\" x=\"10564.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">0.0</text>\n",
-       "</g>\n",
-       "<!-- SimulationCell_3Vector02&#45;&gt;4d85ba26&#45;4e3e&#45;43d0&#45;a256&#45;16395c4dee25 -->\n",
-       "<g id=\"edge267\" class=\"edge\">\n",
-       "<title>SimulationCell_3Vector02&#45;&gt;4d85ba26&#45;4e3e&#45;43d0&#45;a256&#45;16395c4dee25</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M10564.99,-199.8C10564.99,-209.84 10564.99,-222.71 10564.99,-234.16\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"10561.49,-233.98 10564.99,-243.98 10568.49,-233.98 10561.49,-233.98\"/>\n",
-       "<text text-anchor=\"middle\" x=\"10609.99\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasComponent_z</text>\n",
+       "<!-- sample_3_SimulationCellVector_2&#45;&gt;e438f418&#45;59d0&#45;4de8&#45;b171&#45;dcc3b36b074d -->\n",
+       "<g id=\"edge62\" class=\"edge\">\n",
+       "<title>sample_3_SimulationCellVector_2&#45;&gt;e438f418&#45;59d0&#45;4de8&#45;b171&#45;dcc3b36b074d</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M2900.87,-198.21C2897.87,-198.68 2894.91,-199.11 2891.99,-199.5 2861.2,-203.63 2637.8,-198.8 2612.99,-217.5 2607.51,-221.64 2603.89,-227.82 2601.52,-234.27\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"2598.22,-233.06 2598.98,-243.63 2604.98,-234.9 2598.22,-233.06\"/>\n",
+       "<text text-anchor=\"middle\" x=\"2657.99\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasComponent_x</text>\n",
        "</g>\n",
-       "<!-- cmso.SimulationCellVector&#45;&gt;cmso.Vector -->\n",
-       "<g id=\"edge20\" class=\"edge\">\n",
-       "<title>cmso.SimulationCellVector&#45;&gt;cmso.Vector</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M9651.03,-279.71C9647.98,-280.28 9644.96,-280.8 9641.99,-281.25 9582.06,-290.44 9423.09,-270.43 9369.74,-299.25 9361.92,-303.48 9355.38,-310.39 9350.2,-317.53\"/>\n",
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-       "<text text-anchor=\"middle\" x=\"9392.12\" y=\"-301.4\" font-family=\"Times,serif\" font-size=\"8.00\">subClassOf</text>\n",
+       "<!-- 9757d5f9&#45;7ae2&#45;4de9&#45;af4c&#45;bcd042ab562a -->\n",
+       "<g id=\"node101\" class=\"node\">\n",
+       "<title>9757d5f9&#45;7ae2&#45;4de9&#45;af4c&#45;bcd042ab562a</title>\n",
+       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"2737.98,-281.25 2693.46,-281.25 2682,-245.25 2726.53,-245.25 2737.98,-281.25\"/>\n",
+       "<text text-anchor=\"middle\" x=\"2709.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">0.0</text>\n",
        "</g>\n",
-       "<!-- SimulationCell_1Vector03 -->\n",
-       "<g id=\"node37\" class=\"node\">\n",
-       "<title>SimulationCell_1Vector03</title>\n",
-       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"12710.99,-199.5 12592.99,-199.5 12592.99,-163.5 12710.99,-163.5 12710.99,-199.5\"/>\n",
-       "<text text-anchor=\"middle\" x=\"12651.99\" y=\"-178.78\" font-family=\"Times,serif\" font-size=\"8.00\">SimulationCell_1Vector03</text>\n",
-       "</g>\n",
-       "<!-- SimulationCell_1Vector03&#45;&gt;cmso.SimulationCellVector -->\n",
-       "<g id=\"edge294\" class=\"edge\">\n",
-       "<title>SimulationCell_1Vector03&#45;&gt;cmso.SimulationCellVector</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M12592.68,-187.31C12542.06,-191.24 12467.29,-196.59 12401.99,-199.5 12214.53,-207.87 11743.86,-193.53 11557.74,-217.5 11539.27,-219.88 11535.47,-224.97 11516.99,-227.25 11137.55,-274.01 10181.22,-198.17 9783.54,-245.14\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"9783.3,-241.77 9773.8,-246.46 9784.15,-248.72 9783.3,-241.77\"/>\n",
-       "<text text-anchor=\"middle\" x=\"11566.62\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">type</text>\n",
-       "</g>\n",
-       "<!-- ead68797&#45;5f05&#45;4716&#45;a14d&#45;9284d12bb97a -->\n",
-       "<g id=\"node38\" class=\"node\">\n",
-       "<title>ead68797&#45;5f05&#45;4716&#45;a14d&#45;9284d12bb97a</title>\n",
-       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"12905.98,-281.25 12861.46,-281.25 12850,-245.25 12894.53,-245.25 12905.98,-281.25\"/>\n",
-       "<text text-anchor=\"middle\" x=\"12877.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">0.0</text>\n",
+       "<!-- sample_3_SimulationCellVector_2&#45;&gt;9757d5f9&#45;7ae2&#45;4de9&#45;af4c&#45;bcd042ab562a -->\n",
+       "<g id=\"edge76\" class=\"edge\">\n",
+       "<title>sample_3_SimulationCellVector_2&#45;&gt;9757d5f9&#45;7ae2&#45;4de9&#45;af4c&#45;bcd042ab562a</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M2900.85,-198.08C2897.86,-198.58 2894.9,-199.06 2891.99,-199.5 2852.03,-205.56 2738.46,-187.84 2710.99,-217.5 2706.94,-221.88 2705.23,-227.66 2704.82,-233.6\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"2701.31,-233.58 2705.28,-243.4 2708.3,-233.24 2701.31,-233.58\"/>\n",
+       "<text text-anchor=\"middle\" x=\"2755.99\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasComponent_z</text>\n",
        "</g>\n",
-       "<!-- SimulationCell_1Vector03&#45;&gt;ead68797&#45;5f05&#45;4716&#45;a14d&#45;9284d12bb97a -->\n",
-       "<g id=\"edge21\" class=\"edge\">\n",
-       "<title>SimulationCell_1Vector03&#45;&gt;ead68797&#45;5f05&#45;4716&#45;a14d&#45;9284d12bb97a</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M12711.39,-188.58C12759.31,-194.34 12822.19,-204.11 12843.99,-217.5 12851.48,-222.1 12857.9,-228.99 12863.08,-236\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"12860.5,-237.42 12868.97,-243.78 12866.31,-233.52 12860.5,-237.42\"/>\n",
-       "<text text-anchor=\"middle\" x=\"12899.99\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasComponent_x</text>\n",
+       "<!-- 6f512432&#45;9827&#45;41df&#45;a223&#45;fb798426e25c -->\n",
+       "<g id=\"node104\" class=\"node\">\n",
+       "<title>6f512432&#45;9827&#45;41df&#45;a223&#45;fb798426e25c</title>\n",
+       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"2512.64,-281.25 2467.07,-281.25 2455.34,-245.25 2500.92,-245.25 2512.64,-281.25\"/>\n",
+       "<text text-anchor=\"middle\" x=\"2483.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">3.57</text>\n",
        "</g>\n",
-       "<!-- f5785d2a&#45;47f7&#45;4e00&#45;b441&#45;6c556da24b65 -->\n",
-       "<g id=\"node114\" class=\"node\">\n",
-       "<title>f5785d2a&#45;47f7&#45;4e00&#45;b441&#45;6c556da24b65</title>\n",
-       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"12680.64,-281.25 12635.07,-281.25 12623.34,-245.25 12668.92,-245.25 12680.64,-281.25\"/>\n",
-       "<text text-anchor=\"middle\" x=\"12651.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">2.87</text>\n",
+       "<!-- sample_3_SimulationCellVector_2&#45;&gt;6f512432&#45;9827&#45;41df&#45;a223&#45;fb798426e25c -->\n",
+       "<g id=\"edge79\" class=\"edge\">\n",
+       "<title>sample_3_SimulationCellVector_2&#45;&gt;6f512432&#45;9827&#45;41df&#45;a223&#45;fb798426e25c</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M2900.88,-198.27C2897.88,-198.72 2894.91,-199.13 2891.99,-199.5 2849.94,-204.77 2547.4,-195.8 2510.99,-217.5 2504.18,-221.56 2498.88,-228.06 2494.84,-234.86\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"2491.89,-232.94 2490.5,-243.44 2498.14,-236.1 2491.89,-232.94\"/>\n",
+       "<text text-anchor=\"middle\" x=\"2555.99\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasComponent_y</text>\n",
        "</g>\n",
-       "<!-- SimulationCell_1Vector03&#45;&gt;f5785d2a&#45;47f7&#45;4e00&#45;b441&#45;6c556da24b65 -->\n",
-       "<g id=\"edge91\" class=\"edge\">\n",
-       "<title>SimulationCell_1Vector03&#45;&gt;f5785d2a&#45;47f7&#45;4e00&#45;b441&#45;6c556da24b65</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M12651.99,-199.8C12651.99,-209.84 12651.99,-222.71 12651.99,-234.16\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"12648.49,-233.98 12651.99,-243.98 12655.49,-233.98 12648.49,-233.98\"/>\n",
-       "<text text-anchor=\"middle\" x=\"12696.99\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasComponent_z</text>\n",
-       "</g>\n",
-       "<!-- b479bc50&#45;0bc5&#45;49e0&#45;8f3f&#45;944e984dcb89 -->\n",
-       "<g id=\"node195\" class=\"node\">\n",
-       "<title>b479bc50&#45;0bc5&#45;49e0&#45;8f3f&#45;944e984dcb89</title>\n",
-       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"12792.98,-281.25 12748.46,-281.25 12737,-245.25 12781.53,-245.25 12792.98,-281.25\"/>\n",
-       "<text text-anchor=\"middle\" x=\"12764.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">0.0</text>\n",
-       "</g>\n",
-       "<!-- SimulationCell_1Vector03&#45;&gt;b479bc50&#45;0bc5&#45;49e0&#45;8f3f&#45;944e984dcb89 -->\n",
-       "<g id=\"edge209\" class=\"edge\">\n",
-       "<title>SimulationCell_1Vector03&#45;&gt;b479bc50&#45;0bc5&#45;49e0&#45;8f3f&#45;944e984dcb89</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M12711.03,-197.8C12722.55,-202.74 12733.87,-209.16 12742.99,-217.5 12748.28,-222.33 12752.44,-228.71 12755.66,-235.13\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"12752.77,-236.26 12759.96,-244.04 12759.19,-233.48 12752.77,-236.26\"/>\n",
-       "<text text-anchor=\"middle\" x=\"12794.99\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasComponent_y</text>\n",
+       "<!-- sample_3 -->\n",
+       "<g id=\"node31\" class=\"node\">\n",
+       "<title>sample_3</title>\n",
+       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"4699.99,-36 4645.99,-36 4645.99,0 4699.99,0 4699.99,-36\"/>\n",
+       "<text text-anchor=\"middle\" x=\"4672.99\" y=\"-15.28\" font-family=\"Times,serif\" font-size=\"8.00\">sample_3</text>\n",
        "</g>\n",
-       "<!-- Atom_2_1_Position -->\n",
-       "<g id=\"node39\" class=\"node\">\n",
-       "<title>Atom_2_1_Position</title>\n",
-       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"2009.74,-199.5 1920.24,-199.5 1920.24,-163.5 2009.74,-163.5 2009.74,-199.5\"/>\n",
-       "<text text-anchor=\"middle\" x=\"1964.99\" y=\"-178.78\" font-family=\"Times,serif\" font-size=\"8.00\">Atom_2_1_Position</text>\n",
+       "<!-- sample_3&#45;&gt;sample_3_SimulationCell -->\n",
+       "<g id=\"edge130\" class=\"edge\">\n",
+       "<title>sample_3&#45;&gt;sample_3_SimulationCell</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M4645.78,-20.23C4559.15,-24.2 4282.03,-37.43 4052.99,-54 3895.89,-65.36 3711.76,-82.6 3614.4,-92.02\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"3614.09,-88.53 3604.48,-92.98 3614.77,-95.5 3614.09,-88.53\"/>\n",
+       "<text text-anchor=\"middle\" x=\"4099.49\" y=\"-56.15\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasSimulationCell</text>\n",
        "</g>\n",
-       "<!-- Atom_2_1_Position&#45;&gt;cmso.PositionVector -->\n",
-       "<g id=\"edge22\" class=\"edge\">\n",
-       "<title>Atom_2_1_Position&#45;&gt;cmso.PositionVector</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M2009.96,-199.89C2040.18,-211.24 2077.36,-224.44 2093.74,-227.25 2289.79,-260.86 5475.76,-228.95 5673.99,-245.25 5689.54,-246.53 5706.25,-248.79 5721.7,-251.25\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"5720.73,-254.8 5731.16,-252.98 5721.87,-247.9 5720.73,-254.8\"/>\n",
-       "<text text-anchor=\"middle\" x=\"2102.62\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">type</text>\n",
+       "<!-- cmso.AtomicScaleSample -->\n",
+       "<g id=\"node32\" class=\"node\">\n",
+       "<title>cmso.AtomicScaleSample</title>\n",
+       "<polygon fill=\"#ffffcc\" stroke=\"#ffffcc\" points=\"4436.24,-117.75 4319.74,-117.75 4319.74,-81.75 4436.24,-81.75 4436.24,-117.75\"/>\n",
+       "<text text-anchor=\"middle\" x=\"4377.99\" y=\"-97.03\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.AtomicScaleSample</text>\n",
        "</g>\n",
-       "<!-- ad6df548&#45;eaef&#45;4f89&#45;b408&#45;3a0bb70a0427 -->\n",
-       "<g id=\"node90\" class=\"node\">\n",
-       "<title>ad6df548&#45;eaef&#45;4f89&#45;b408&#45;3a0bb70a0427</title>\n",
-       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"1776.49,-281.25 1716.84,-281.25 1701.49,-245.25 1761.14,-245.25 1776.49,-281.25\"/>\n",
-       "<text text-anchor=\"middle\" x=\"1738.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">1.3575</text>\n",
+       "<!-- sample_3&#45;&gt;cmso.AtomicScaleSample -->\n",
+       "<g id=\"edge17\" class=\"edge\">\n",
+       "<title>sample_3&#45;&gt;cmso.AtomicScaleSample</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M4645.82,-21.08C4605.94,-24.7 4529.59,-33.8 4467.74,-54 4450.66,-59.58 4432.77,-67.93 4417.5,-75.91\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"4415.87,-72.81 4408.72,-80.63 4419.18,-78.98 4415.87,-72.81\"/>\n",
+       "<text text-anchor=\"middle\" x=\"4476.62\" y=\"-56.15\" font-family=\"Times,serif\" font-size=\"8.00\">type</text>\n",
        "</g>\n",
-       "<!-- Atom_2_1_Position&#45;&gt;ad6df548&#45;eaef&#45;4f89&#45;b408&#45;3a0bb70a0427 -->\n",
-       "<g id=\"edge70\" class=\"edge\">\n",
-       "<title>Atom_2_1_Position&#45;&gt;ad6df548&#45;eaef&#45;4f89&#45;b408&#45;3a0bb70a0427</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M1919.88,-186.57C1870.23,-191.75 1794.22,-201.92 1769.99,-217.5 1763,-222 1757.15,-228.69 1752.48,-235.54\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"1749.07,-233.42 1746.86,-243.78 1755.05,-237.06 1749.07,-233.42\"/>\n",
-       "<text text-anchor=\"middle\" x=\"1814.99\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasComponent_x</text>\n",
+       "<!-- sample_3_Material -->\n",
+       "<g id=\"node60\" class=\"node\">\n",
+       "<title>sample_3_Material</title>\n",
+       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"4543.74,-117.75 4454.24,-117.75 4454.24,-81.75 4543.74,-81.75 4543.74,-117.75\"/>\n",
+       "<text text-anchor=\"middle\" x=\"4498.99\" y=\"-97.03\" font-family=\"Times,serif\" font-size=\"8.00\">sample_3_Material</text>\n",
        "</g>\n",
-       "<!-- 9e067027&#45;536f&#45;4b67&#45;828b&#45;df29c7ab6a6f -->\n",
-       "<g id=\"node145\" class=\"node\">\n",
-       "<title>9e067027&#45;536f&#45;4b67&#45;828b&#45;df29c7ab6a6f</title>\n",
-       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"1889.49,-281.25 1829.84,-281.25 1814.49,-245.25 1874.14,-245.25 1889.49,-281.25\"/>\n",
-       "<text text-anchor=\"middle\" x=\"1851.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">1.3575</text>\n",
+       "<!-- sample_3&#45;&gt;sample_3_Material -->\n",
+       "<g id=\"edge210\" class=\"edge\">\n",
+       "<title>sample_3&#45;&gt;sample_3_Material</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M4645.8,-31.46C4619.53,-43.5 4579.14,-62.02 4547.37,-76.58\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"4545.97,-73.37 4538.34,-80.72 4548.89,-79.73 4545.97,-73.37\"/>\n",
+       "<text text-anchor=\"middle\" x=\"4631.49\" y=\"-56.15\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasMaterial</text>\n",
        "</g>\n",
-       "<!-- Atom_2_1_Position&#45;&gt;9e067027&#45;536f&#45;4b67&#45;828b&#45;df29c7ab6a6f -->\n",
-       "<g id=\"edge133\" class=\"edge\">\n",
-       "<title>Atom_2_1_Position&#45;&gt;9e067027&#45;536f&#45;4b67&#45;828b&#45;df29c7ab6a6f</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M1920.22,-191.18C1903.09,-196.4 1884.46,-204.62 1870.99,-217.5 1865.95,-222.32 1862.18,-228.7 1859.39,-235.12\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"1855.91,-233.44 1855.77,-244.04 1862.49,-235.84 1855.91,-233.44\"/>\n",
-       "<text text-anchor=\"middle\" x=\"1915.99\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasComponent_y</text>\n",
-       "</g>\n",
-       "<!-- f7e45817&#45;efbb&#45;4465&#45;bea1&#45;32888ff7791d -->\n",
-       "<g id=\"node203\" class=\"node\">\n",
-       "<title>f7e45817&#45;efbb&#45;4465&#45;bea1&#45;32888ff7791d</title>\n",
-       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"2002.49,-281.25 1942.84,-281.25 1927.49,-245.25 1987.14,-245.25 2002.49,-281.25\"/>\n",
-       "<text text-anchor=\"middle\" x=\"1964.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">1.3575</text>\n",
-       "</g>\n",
-       "<!-- Atom_2_1_Position&#45;&gt;f7e45817&#45;efbb&#45;4465&#45;bea1&#45;32888ff7791d -->\n",
-       "<g id=\"edge226\" class=\"edge\">\n",
-       "<title>Atom_2_1_Position&#45;&gt;f7e45817&#45;efbb&#45;4465&#45;bea1&#45;32888ff7791d</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M1964.99,-199.8C1964.99,-209.84 1964.99,-222.71 1964.99,-234.16\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"1961.49,-233.98 1964.99,-243.98 1968.49,-233.98 1961.49,-233.98\"/>\n",
-       "<text text-anchor=\"middle\" x=\"2009.99\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasComponent_z</text>\n",
-       "</g>\n",
-       "<!-- Atom_2_4_Position&#45;&gt;cmso.PositionVector -->\n",
-       "<g id=\"edge101\" class=\"edge\">\n",
-       "<title>Atom_2_4_Position&#45;&gt;cmso.PositionVector</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M5942.97,-189.82C5903.41,-196.73 5849.2,-207.49 5829.74,-217.5 5819.93,-222.55 5810.55,-230.01 5802.63,-237.4\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"5800.61,-234.46 5795.95,-243.98 5805.53,-239.45 5800.61,-234.46\"/>\n",
-       "<text text-anchor=\"middle\" x=\"5838.62\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">type</text>\n",
+       "<!-- sample_3_Species -->\n",
+       "<g id=\"node80\" class=\"node\">\n",
+       "<title>sample_3_Species</title>\n",
+       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"4716.24,-117.75 4629.74,-117.75 4629.74,-81.75 4716.24,-81.75 4716.24,-117.75\"/>\n",
+       "<text text-anchor=\"middle\" x=\"4672.99\" y=\"-97.03\" font-family=\"Times,serif\" font-size=\"8.00\">sample_3_Species</text>\n",
        "</g>\n",
-       "<!-- 6c860f57&#45;ffb7&#45;4fa7&#45;a173&#45;11366081f969 -->\n",
-       "<g id=\"node41\" class=\"node\">\n",
-       "<title>6c860f57&#45;ffb7&#45;4fa7&#45;a173&#45;11366081f969</title>\n",
-       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"5988.98,-281.25 5944.46,-281.25 5933,-245.25 5977.53,-245.25 5988.98,-281.25\"/>\n",
-       "<text text-anchor=\"middle\" x=\"5960.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">0.0</text>\n",
+       "<!-- sample_3&#45;&gt;sample_3_Species -->\n",
+       "<g id=\"edge109\" class=\"edge\">\n",
+       "<title>sample_3&#45;&gt;sample_3_Species</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M4672.99,-36.3C4672.99,-46.23 4672.99,-58.94 4672.99,-70.3\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"4669.49,-69.97 4672.99,-79.97 4676.49,-69.97 4669.49,-69.97\"/>\n",
+       "<text text-anchor=\"middle\" x=\"4708.99\" y=\"-56.15\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasAttribute</text>\n",
        "</g>\n",
-       "<!-- Atom_2_4_Position&#45;&gt;6c860f57&#45;ffb7&#45;4fa7&#45;a173&#45;11366081f969 -->\n",
-       "<g id=\"edge23\" class=\"edge\">\n",
-       "<title>Atom_2_4_Position&#45;&gt;6c860f57&#45;ffb7&#45;4fa7&#45;a173&#45;11366081f969</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M5971.89,-199.8C5967.9,-205.09 5964.15,-211.2 5961.99,-217.5 5960.22,-222.65 5959.35,-228.33 5959.01,-233.87\"/>\n",
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-       "<text text-anchor=\"middle\" x=\"6006.99\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasComponent_y</text>\n",
-       "</g>\n",
-       "<!-- d6b9deec&#45;582c&#45;4365&#45;a585&#45;80f18a17c3c9 -->\n",
-       "<g id=\"node193\" class=\"node\">\n",
-       "<title>d6b9deec&#45;582c&#45;4365&#45;a585&#45;80f18a17c3c9</title>\n",
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-       "<text text-anchor=\"middle\" x=\"6073.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">2.715</text>\n",
-       "</g>\n",
-       "<!-- Atom_2_4_Position&#45;&gt;d6b9deec&#45;582c&#45;4365&#45;a585&#45;80f18a17c3c9 -->\n",
-       "<g id=\"edge205\" class=\"edge\">\n",
-       "<title>Atom_2_4_Position&#45;&gt;d6b9deec&#45;582c&#45;4365&#45;a585&#45;80f18a17c3c9</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M6028.88,-199.96C6037.21,-204.79 6045.42,-210.64 6051.99,-217.5 6056.86,-222.59 6060.86,-228.96 6064.05,-235.29\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"6061.12,-236.31 6068.4,-244.01 6067.51,-233.45 6061.12,-236.31\"/>\n",
-       "<text text-anchor=\"middle\" x=\"6104.99\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasComponent_z</text>\n",
-       "</g>\n",
-       "<!-- 4c31e3cc&#45;76f9&#45;42ee&#45;a4ad&#45;fd2c3ad5a308 -->\n",
-       "<g id=\"node231\" class=\"node\">\n",
-       "<title>4c31e3cc&#45;76f9&#45;42ee&#45;a4ad&#45;fd2c3ad5a308</title>\n",
-       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"6300.07,-281.25 6247.45,-281.25 6233.92,-245.25 6286.53,-245.25 6300.07,-281.25\"/>\n",
-       "<text text-anchor=\"middle\" x=\"6266.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">2.715</text>\n",
-       "</g>\n",
-       "<!-- Atom_2_4_Position&#45;&gt;4c31e3cc&#45;76f9&#45;42ee&#45;a4ad&#45;fd2c3ad5a308 -->\n",
-       "<g id=\"edge269\" class=\"edge\">\n",
-       "<title>Atom_2_4_Position&#45;&gt;4c31e3cc&#45;76f9&#45;42ee&#45;a4ad&#45;fd2c3ad5a308</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M6033,-183.63C6097.47,-186.06 6211.98,-193.7 6244.99,-217.5 6251.13,-221.92 6255.64,-228.54 6258.91,-235.33\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"6255.9,-236.22 6262.88,-244.18 6262.39,-233.6 6255.9,-236.22\"/>\n",
-       "<text text-anchor=\"middle\" x=\"6299.99\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasComponent_x</text>\n",
-       "</g>\n",
-       "<!-- CrystalStructure_1&#45;&gt;UnitCell_1 -->\n",
-       "<g id=\"edge218\" class=\"edge\">\n",
-       "<title>CrystalStructure_1&#45;&gt;UnitCell_1</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M13714.71,-197.51C13717.83,-198.26 13720.95,-198.94 13723.99,-199.5 13753.67,-204.99 13974.37,-195.47 13994.99,-217.5 13999.3,-222.11 14000.4,-228.26 13999.88,-234.52\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"13996.33,-233.42 13997.76,-243.91 14003.19,-234.82 13996.33,-233.42\"/>\n",
-       "<text text-anchor=\"middle\" x=\"14033.12\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasUnitCell</text>\n",
-       "</g>\n",
-       "<!-- 9a7a9ada&#45;3b9d&#45;4650&#45;bd56&#45;e82f00d8958e -->\n",
-       "<g id=\"node77\" class=\"node\">\n",
-       "<title>9a7a9ada&#45;3b9d&#45;4650&#45;bd56&#45;e82f00d8958e</title>\n",
-       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"13834.98,-281.25 13790.46,-281.25 13779,-245.25 13823.53,-245.25 13834.98,-281.25\"/>\n",
-       "<text text-anchor=\"middle\" x=\"13806.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">229</text>\n",
+       "<!-- sample_3_Position -->\n",
+       "<g id=\"node100\" class=\"node\">\n",
+       "<title>sample_3_Position</title>\n",
+       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"5093.62,-117.75 5006.37,-117.75 5006.37,-81.75 5093.62,-81.75 5093.62,-117.75\"/>\n",
+       "<text text-anchor=\"middle\" x=\"5049.99\" y=\"-97.03\" font-family=\"Times,serif\" font-size=\"8.00\">sample_3_Position</text>\n",
        "</g>\n",
-       "<!-- CrystalStructure_1&#45;&gt;9a7a9ada&#45;3b9d&#45;4650&#45;bd56&#45;e82f00d8958e -->\n",
-       "<g id=\"edge57\" class=\"edge\">\n",
-       "<title>CrystalStructure_1&#45;&gt;9a7a9ada&#45;3b9d&#45;4650&#45;bd56&#45;e82f00d8958e</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M13714.89,-196.74C13717.97,-197.68 13721.03,-198.6 13723.99,-199.5 13751.05,-207.67 13763.38,-199.28 13784.99,-217.5 13790.47,-222.11 13794.7,-228.42 13797.92,-234.83\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"13795.03,-235.98 13802.19,-243.79 13801.47,-233.22 13795.03,-235.98\"/>\n",
-       "<text text-anchor=\"middle\" x=\"13852.24\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasSpaceGroupNumber</text>\n",
+       "<!-- sample_3&#45;&gt;sample_3_Position -->\n",
+       "<g id=\"edge74\" class=\"edge\">\n",
+       "<title>sample_3&#45;&gt;sample_3_Position</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M4700.41,-24.8C4762.15,-37.86 4913.06,-69.78 4994.95,-87.11\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"4994.05,-90.49 5004.55,-89.14 4995.5,-83.64 4994.05,-90.49\"/>\n",
+       "<text text-anchor=\"middle\" x=\"4920.99\" y=\"-56.15\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasAttribute</text>\n",
        "</g>\n",
-       "<!-- CrystalStructure_1&#45;&gt;cmso.CrystalStructure -->\n",
-       "<g id=\"edge81\" class=\"edge\">\n",
-       "<title>CrystalStructure_1&#45;&gt;cmso.CrystalStructure</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M13623.16,-185.94C13569.47,-189.84 13477.82,-196.1 13398.99,-199.5 13057.77,-214.23 12970.97,-187.62 12630.74,-217.5 12602.19,-220.01 12595.57,-225.02 12566.99,-227.25 12325.06,-246.14 8483.82,-212.32 8147.56,-245.37\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"8147.24,-242 8137.71,-246.63 8148.05,-248.95 8147.24,-242\"/>\n",
-       "<text text-anchor=\"middle\" x=\"12638.62\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">type</text>\n",
+       "<!-- sample_3_ChemicalSpecies -->\n",
+       "<g id=\"node105\" class=\"node\">\n",
+       "<title>sample_3_ChemicalSpecies</title>\n",
+       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"5804.62,-117.75 5681.37,-117.75 5681.37,-81.75 5804.62,-81.75 5804.62,-117.75\"/>\n",
+       "<text text-anchor=\"middle\" x=\"5742.99\" y=\"-97.03\" font-family=\"Times,serif\" font-size=\"8.00\">sample_3_ChemicalSpecies</text>\n",
        "</g>\n",
-       "<!-- 15c4afc0&#45;f9c7&#45;4a60&#45;8ed6&#45;37c8f5760315 -->\n",
-       "<g id=\"node136\" class=\"node\">\n",
-       "<title>15c4afc0&#45;f9c7&#45;4a60&#45;8ed6&#45;37c8f5760315</title>\n",
-       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"13942.98,-281.25 13898.46,-281.25 13887,-245.25 13931.53,-245.25 13942.98,-281.25\"/>\n",
-       "<text text-anchor=\"middle\" x=\"13914.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">Bcc</text>\n",
+       "<!-- sample_3&#45;&gt;sample_3_ChemicalSpecies -->\n",
+       "<g id=\"edge186\" class=\"edge\">\n",
+       "<title>sample_3&#45;&gt;sample_3_ChemicalSpecies</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M4700.25,-21.03C4837.57,-31.27 5455.47,-77.32 5669.64,-93.28\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"5669.3,-96.77 5679.53,-94.02 5669.82,-89.79 5669.3,-96.77\"/>\n",
+       "<text text-anchor=\"middle\" x=\"5304.99\" y=\"-56.15\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasSpecies</text>\n",
        "</g>\n",
-       "<!-- CrystalStructure_1&#45;&gt;15c4afc0&#45;f9c7&#45;4a60&#45;8ed6&#45;37c8f5760315 -->\n",
-       "<g id=\"edge114\" class=\"edge\">\n",
-       "<title>CrystalStructure_1&#45;&gt;15c4afc0&#45;f9c7&#45;4a60&#45;8ed6&#45;37c8f5760315</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M13714.73,-197.41C13717.84,-198.19 13720.95,-198.89 13723.99,-199.5 13766.02,-207.87 13887.14,-185.82 13915.99,-217.5 13920.11,-222.02 13921.6,-228 13921.69,-234.11\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"13918.12,-233.65 13920.6,-243.95 13925.09,-234.35 13918.12,-233.65\"/>\n",
-       "<text text-anchor=\"middle\" x=\"13955.24\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasAltName</text>\n",
+       "<!-- c68ddf9d&#45;4734&#45;4c7c&#45;ab44&#45;587084096e22 -->\n",
+       "<g id=\"node138\" class=\"node\">\n",
+       "<title>c68ddf9d&#45;4734&#45;4c7c&#45;ab44&#45;587084096e22</title>\n",
+       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"5167.98,-117.75 5123.46,-117.75 5112,-81.75 5156.53,-81.75 5167.98,-117.75\"/>\n",
+       "<text text-anchor=\"middle\" x=\"5139.99\" y=\"-97.03\" font-family=\"Times,serif\" font-size=\"8.00\">4</text>\n",
        "</g>\n",
-       "<!-- 65e8a31b&#45;69ff&#45;43c3&#45;a39c&#45;34d7aa4edd38 -->\n",
-       "<g id=\"node163\" class=\"node\">\n",
-       "<title>65e8a31b&#45;69ff&#45;43c3&#45;a39c&#45;34d7aa4edd38</title>\n",
-       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"13705.23,-281.25 13647.59,-281.25 13632.76,-245.25 13690.4,-245.25 13705.23,-281.25\"/>\n",
-       "<text text-anchor=\"middle\" x=\"13668.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">Im&#45;3M</text>\n",
+       "<!-- sample_3&#45;&gt;c68ddf9d&#45;4734&#45;4c7c&#45;ab44&#45;587084096e22 -->\n",
+       "<g id=\"edge144\" class=\"edge\">\n",
+       "<title>sample_3&#45;&gt;c68ddf9d&#45;4734&#45;4c7c&#45;ab44&#45;587084096e22</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M4700.37,-19.85C4767.96,-22.6 4947.83,-33.89 5102.2,-82.01\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"5100.77,-85.22 5111.36,-84.92 5102.89,-78.55 5100.77,-85.22\"/>\n",
+       "<text text-anchor=\"middle\" x=\"5085.74\" y=\"-56.15\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasNumberOfAtoms</text>\n",
        "</g>\n",
-       "<!-- CrystalStructure_1&#45;&gt;65e8a31b&#45;69ff&#45;43c3&#45;a39c&#45;34d7aa4edd38 -->\n",
-       "<g id=\"edge153\" class=\"edge\">\n",
-       "<title>CrystalStructure_1&#45;&gt;65e8a31b&#45;69ff&#45;43c3&#45;a39c&#45;34d7aa4edd38</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M13668.99,-199.8C13668.99,-209.84 13668.99,-222.71 13668.99,-234.16\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"13665.49,-233.98 13668.99,-243.98 13672.49,-233.98 13665.49,-233.98\"/>\n",
-       "<text text-anchor=\"middle\" x=\"13726.37\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasSpaceGroupSymbol</text>\n",
+       "<!-- sample_3_SimulationCellVector_1&#45;&gt;cmso.SimulationCellVector -->\n",
+       "<g id=\"edge183\" class=\"edge\">\n",
+       "<title>sample_3_SimulationCellVector_1&#45;&gt;cmso.SimulationCellVector</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M3170.15,-199.89C3179.66,-207.83 3186.33,-217.6 3179.99,-227.25 3176.99,-231.81 3173.26,-235.78 3169.06,-239.23\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"3167.31,-236.18 3161.1,-244.76 3171.31,-241.93 3167.31,-236.18\"/>\n",
+       "<text text-anchor=\"middle\" x=\"3191.62\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">type</text>\n",
        "</g>\n",
-       "<!-- SimulationCell_2 -->\n",
-       "<g id=\"node43\" class=\"node\">\n",
-       "<title>SimulationCell_2</title>\n",
-       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"1274.99,-117.75 1192.99,-117.75 1192.99,-81.75 1274.99,-81.75 1274.99,-117.75\"/>\n",
-       "<text text-anchor=\"middle\" x=\"1233.99\" y=\"-97.03\" font-family=\"Times,serif\" font-size=\"8.00\">SimulationCell_2</text>\n",
+       "<!-- f624c9e7&#45;a94e&#45;4c91&#45;b3fa&#45;f7e54d1effb2 -->\n",
+       "<g id=\"node34\" class=\"node\">\n",
+       "<title>f624c9e7&#45;a94e&#45;4c91&#45;b3fa&#45;f7e54d1effb2</title>\n",
+       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"2946.98,-281.25 2902.46,-281.25 2891,-245.25 2935.53,-245.25 2946.98,-281.25\"/>\n",
+       "<text text-anchor=\"middle\" x=\"2918.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">0.0</text>\n",
        "</g>\n",
-       "<!-- SimulationCell_2&#45;&gt;cmso.SimulationCell -->\n",
-       "<g id=\"edge172\" class=\"edge\">\n",
-       "<title>SimulationCell_2&#45;&gt;cmso.SimulationCell</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M1275.41,-101.68C1410.18,-104.66 1848.4,-114 2210.99,-117.75 2364.32,-119.33 7578.74,-117.54 7730.99,-135.75 7749.48,-137.96 7753.26,-143.21 7771.74,-145.5 8096.22,-185.79 8918.96,-119.81 9242.99,-163.5 9245.07,-163.78 9247.18,-164.11 9249.31,-164.47\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"9248.49,-168.07 9258.98,-166.55 9249.84,-161.2 9248.49,-168.07\"/>\n",
-       "<text text-anchor=\"middle\" x=\"7780.62\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">type</text>\n",
+       "<!-- sample_3_SimulationCellVector_1&#45;&gt;f624c9e7&#45;a94e&#45;4c91&#45;b3fa&#45;f7e54d1effb2 -->\n",
+       "<g id=\"edge18\" class=\"edge\">\n",
+       "<title>sample_3_SimulationCellVector_1&#45;&gt;f624c9e7&#45;a94e&#45;4c91&#45;b3fa&#45;f7e54d1effb2</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M3066.82,-197.9C3063.84,-198.46 3060.89,-198.99 3057.99,-199.5 3031,-204.25 2957.35,-200.33 2935.99,-217.5 2930.68,-221.77 2927.03,-227.9 2924.52,-234.25\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"2921.29,-232.84 2921.72,-243.43 2927.98,-234.88 2921.29,-232.84\"/>\n",
+       "<text text-anchor=\"middle\" x=\"2980.99\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasComponent_y</text>\n",
        "</g>\n",
-       "<!-- SimulationCell_2&#45;&gt;SimulationCell_2Vector03 -->\n",
-       "<g id=\"edge25\" class=\"edge\">\n",
-       "<title>SimulationCell_2&#45;&gt;SimulationCell_2Vector03</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M1247.01,-118.05C1255.03,-128.71 1265.46,-142.58 1274.46,-154.54\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"1272.19,-156.34 1281,-162.23 1277.78,-152.13 1272.19,-156.34\"/>\n",
-       "<text text-anchor=\"middle\" x=\"1298.74\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasVector</text>\n",
+       "<!-- 5f5163f5&#45;9e5a&#45;496a&#45;8b5f&#45;86b83503201e -->\n",
+       "<g id=\"node139\" class=\"node\">\n",
+       "<title>5f5163f5&#45;9e5a&#45;496a&#45;8b5f&#45;86b83503201e</title>\n",
+       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"3020.98,-281.25 2976.46,-281.25 2965,-245.25 3009.53,-245.25 3020.98,-281.25\"/>\n",
+       "<text text-anchor=\"middle\" x=\"2992.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">0.0</text>\n",
        "</g>\n",
-       "<!-- SimulationCell_2&#45;&gt;SimulationCell_2Length -->\n",
-       "<g id=\"edge116\" class=\"edge\">\n",
-       "<title>SimulationCell_2&#45;&gt;SimulationCell_2Length</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M1275.23,-111.26C1327.65,-124.61 1418.76,-147.83 1480.91,-163.66\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"1479.84,-167.26 1490.4,-166.33 1481.57,-160.47 1479.84,-167.26\"/>\n",
-       "<text text-anchor=\"middle\" x=\"1442.24\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasLength</text>\n",
+       "<!-- sample_3_SimulationCellVector_1&#45;&gt;5f5163f5&#45;9e5a&#45;496a&#45;8b5f&#45;86b83503201e -->\n",
+       "<g id=\"edge145\" class=\"edge\">\n",
+       "<title>sample_3_SimulationCellVector_1&#45;&gt;5f5163f5&#45;9e5a&#45;496a&#45;8b5f&#45;86b83503201e</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M3113.2,-199.9C3099.21,-208.45 3081.89,-218.72 3065.99,-227.25 3061.72,-229.54 3040.86,-239.52 3022.53,-248.24\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"3021.07,-245.06 3013.54,-252.52 3024.07,-251.39 3021.07,-245.06\"/>\n",
+       "<text text-anchor=\"middle\" x=\"3127.99\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasComponent_z</text>\n",
        "</g>\n",
-       "<!-- SimulationCell_2Vector02 -->\n",
-       "<g id=\"node44\" class=\"node\">\n",
-       "<title>SimulationCell_2Vector02</title>\n",
-       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"312.99,-199.5 194.99,-199.5 194.99,-163.5 312.99,-163.5 312.99,-199.5\"/>\n",
-       "<text text-anchor=\"middle\" x=\"253.99\" y=\"-178.78\" font-family=\"Times,serif\" font-size=\"8.00\">SimulationCell_2Vector02</text>\n",
+       "<!-- f18870b3&#45;4350&#45;4603&#45;82a0&#45;70220e2b7e24 -->\n",
+       "<g id=\"node162\" class=\"node\">\n",
+       "<title>f18870b3&#45;4350&#45;4603&#45;82a0&#45;70220e2b7e24</title>\n",
+       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"2851.64,-281.25 2806.07,-281.25 2794.34,-245.25 2839.92,-245.25 2851.64,-281.25\"/>\n",
+       "<text text-anchor=\"middle\" x=\"2822.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">3.57</text>\n",
        "</g>\n",
-       "<!-- SimulationCell_2&#45;&gt;SimulationCell_2Vector02 -->\n",
-       "<g id=\"edge61\" class=\"edge\">\n",
-       "<title>SimulationCell_2&#45;&gt;SimulationCell_2Vector02</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M1192.51,-104.13C1040.8,-116.47 515.06,-159.26 324.05,-174.8\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"323.99,-171.37 314.3,-175.67 324.56,-178.35 323.99,-171.37\"/>\n",
-       "<text text-anchor=\"middle\" x=\"833.74\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasVector</text>\n",
+       "<!-- sample_3_SimulationCellVector_1&#45;&gt;f18870b3&#45;4350&#45;4603&#45;82a0&#45;70220e2b7e24 -->\n",
+       "<g id=\"edge184\" class=\"edge\">\n",
+       "<title>sample_3_SimulationCellVector_1&#45;&gt;f18870b3&#45;4350&#45;4603&#45;82a0&#45;70220e2b7e24</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M3066.86,-198.15C3063.87,-198.63 3060.9,-199.09 3057.99,-199.5 3033.38,-203 2854.09,-201.59 2834.99,-217.5 2830.05,-221.62 2827.02,-227.53 2825.2,-233.72\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"2821.8,-232.85 2823.35,-243.33 2828.68,-234.18 2821.8,-232.85\"/>\n",
+       "<text text-anchor=\"middle\" x=\"2879.99\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasComponent_x</text>\n",
        "</g>\n",
-       "<!-- SimulationCell_2Angle -->\n",
-       "<g id=\"node51\" class=\"node\">\n",
-       "<title>SimulationCell_2Angle</title>\n",
-       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"642.62,-199.5 537.37,-199.5 537.37,-163.5 642.62,-163.5 642.62,-199.5\"/>\n",
-       "<text text-anchor=\"middle\" x=\"589.99\" y=\"-178.78\" font-family=\"Times,serif\" font-size=\"8.00\">SimulationCell_2Angle</text>\n",
+       "<!-- cmso.Length -->\n",
+       "<g id=\"node45\" class=\"node\">\n",
+       "<title>cmso.Length</title>\n",
+       "<polygon fill=\"#ffffcc\" stroke=\"#ffffcc\" points=\"4134.49,-526.5 4067.49,-526.5 4067.49,-490.5 4134.49,-490.5 4134.49,-526.5\"/>\n",
+       "<text text-anchor=\"middle\" x=\"4100.99\" y=\"-505.77\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.Length</text>\n",
        "</g>\n",
-       "<!-- SimulationCell_2&#45;&gt;SimulationCell_2Angle -->\n",
-       "<g id=\"edge104\" class=\"edge\">\n",
-       "<title>SimulationCell_2&#45;&gt;SimulationCell_2Angle</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M1192.73,-105.86C1083.23,-119.42 784.76,-156.38 653.44,-172.64\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"653.26,-169.26 643.77,-173.96 654.12,-176.21 653.26,-169.26\"/>\n",
-       "<text text-anchor=\"middle\" x=\"980.62\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasAngle</text>\n",
+       "<!-- cmso.LatticeParameter&#45;&gt;cmso.Length -->\n",
+       "<g id=\"edge150\" class=\"edge\">\n",
+       "<title>cmso.LatticeParameter&#45;&gt;cmso.Length</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M4686.35,-443.02C4683.53,-443.65 4680.73,-444.23 4677.99,-444.75 4482,-482.03 4244.04,-499.18 4146.25,-505.04\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"4146.05,-501.54 4136.28,-505.62 4146.46,-508.53 4146.05,-501.54\"/>\n",
+       "<text text-anchor=\"middle\" x=\"4591.12\" y=\"-464.9\" font-family=\"Times,serif\" font-size=\"8.00\">subClassOf</text>\n",
        "</g>\n",
-       "<!-- SimulationCell_2Vector01 -->\n",
-       "<g id=\"node132\" class=\"node\">\n",
-       "<title>SimulationCell_2Vector01</title>\n",
-       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"1017.99,-199.5 899.99,-199.5 899.99,-163.5 1017.99,-163.5 1017.99,-199.5\"/>\n",
-       "<text text-anchor=\"middle\" x=\"958.99\" y=\"-178.78\" font-family=\"Times,serif\" font-size=\"8.00\">SimulationCell_2Vector01</text>\n",
-       "</g>\n",
-       "<!-- SimulationCell_2&#45;&gt;SimulationCell_2Vector01 -->\n",
-       "<g id=\"edge281\" class=\"edge\">\n",
-       "<title>SimulationCell_2&#45;&gt;SimulationCell_2Vector01</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M1192.52,-112.78C1149.22,-125.33 1080.53,-145.25 1028.83,-160.25\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"1028.03,-157.12 1019.4,-163.27 1029.98,-163.85 1028.03,-157.12\"/>\n",
-       "<text text-anchor=\"middle\" x=\"1143.74\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasVector</text>\n",
-       "</g>\n",
-       "<!-- 4e2f4fff&#45;5488&#45;457a&#45;b310&#45;afc2de0a97bf -->\n",
-       "<g id=\"node206\" class=\"node\">\n",
-       "<title>4e2f4fff&#45;5488&#45;457a&#45;b310&#45;afc2de0a97bf</title>\n",
-       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"1216.91,-199.5 1150.23,-199.5 1133.07,-163.5 1199.76,-163.5 1216.91,-199.5\"/>\n",
-       "<text text-anchor=\"middle\" x=\"1174.99\" y=\"-178.78\" font-family=\"Times,serif\" font-size=\"8.00\">1280.82</text>\n",
-       "</g>\n",
-       "<!-- SimulationCell_2&#45;&gt;4e2f4fff&#45;5488&#45;457a&#45;b310&#45;afc2de0a97bf -->\n",
-       "<g id=\"edge229\" class=\"edge\">\n",
-       "<title>SimulationCell_2&#45;&gt;4e2f4fff&#45;5488&#45;457a&#45;b310&#45;afc2de0a97bf</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M1207.99,-117.94C1201.68,-123.07 1195.42,-129.12 1190.74,-135.75 1187.12,-140.88 1184.26,-146.93 1182.03,-152.88\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"1178.41,-151.71 1178.66,-162.3 1185.07,-153.86 1178.41,-151.71\"/>\n",
-       "<text text-anchor=\"middle\" x=\"1223.62\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasVolume</text>\n",
-       "</g>\n",
-       "<!-- SimulationCell_2Vector02&#45;&gt;cmso.SimulationCellVector -->\n",
-       "<g id=\"edge66\" class=\"edge\">\n",
-       "<title>SimulationCell_2Vector02&#45;&gt;cmso.SimulationCellVector</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M313.18,-186.06C394.14,-191.25 543.89,-201.99 670.99,-217.5 698.14,-220.81 704.49,-225.05 731.74,-227.25 975.86,-246.96 9220.43,-216.25 9640.36,-245.6\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"9639.79,-249.15 9650.06,-246.56 9640.42,-242.18 9639.79,-249.15\"/>\n",
-       "<text text-anchor=\"middle\" x=\"740.62\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">type</text>\n",
+       "<!-- sample_2_LatticeParameter -->\n",
+       "<g id=\"node36\" class=\"node\">\n",
+       "<title>sample_2_LatticeParameter</title>\n",
+       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"5669.37,-363 5544.62,-363 5544.62,-327 5669.37,-327 5669.37,-363\"/>\n",
+       "<text text-anchor=\"middle\" x=\"5606.99\" y=\"-342.27\" font-family=\"Times,serif\" font-size=\"8.00\">sample_2_LatticeParameter</text>\n",
        "</g>\n",
-       "<!-- c700c213&#45;d488&#45;4e71&#45;9396&#45;42fbf21435df -->\n",
-       "<g id=\"node45\" class=\"node\">\n",
-       "<title>c700c213&#45;d488&#45;4e71&#45;9396&#45;42fbf21435df</title>\n",
-       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"55.98,-281.25 11.46,-281.25 0,-245.25 44.53,-245.25 55.98,-281.25\"/>\n",
-       "<text text-anchor=\"middle\" x=\"27.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">0.0</text>\n",
+       "<!-- sample_2_LatticeParameter&#45;&gt;cmso.LatticeParameter -->\n",
+       "<g id=\"edge85\" class=\"edge\">\n",
+       "<title>sample_2_LatticeParameter&#45;&gt;cmso.LatticeParameter</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M5544.13,-351.41C5498.37,-355.17 5434.88,-360.02 5378.99,-363 5316.47,-366.33 4875.87,-363.53 4815.74,-381 4811.33,-382.28 4794.32,-392.25 4777.53,-402.46\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"4775.77,-399.44 4769.06,-407.64 4779.42,-405.41 4775.77,-399.44\"/>\n",
+       "<text text-anchor=\"middle\" x=\"4824.62\" y=\"-383.15\" font-family=\"Times,serif\" font-size=\"8.00\">type</text>\n",
        "</g>\n",
-       "<!-- SimulationCell_2Vector02&#45;&gt;c700c213&#45;d488&#45;4e71&#45;9396&#45;42fbf21435df -->\n",
-       "<g id=\"edge27\" class=\"edge\">\n",
-       "<title>SimulationCell_2Vector02&#45;&gt;c700c213&#45;d488&#45;4e71&#45;9396&#45;42fbf21435df</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M194.96,-188.08C146.03,-193.61 81.05,-203.32 58.99,-217.5 52,-222 46.15,-228.69 41.48,-235.54\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"38.07,-233.42 35.86,-243.78 44.05,-237.06 38.07,-233.42\"/>\n",
-       "<text text-anchor=\"middle\" x=\"103.99\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasComponent_z</text>\n",
+       "<!-- 9e8188f6&#45;d8ae&#45;44d2&#45;a056&#45;91ac677a8b4a -->\n",
+       "<g id=\"node37\" class=\"node\">\n",
+       "<title>9e8188f6&#45;d8ae&#45;44d2&#45;a056&#45;91ac677a8b4a</title>\n",
+       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"5731.64,-444.75 5686.07,-444.75 5674.34,-408.75 5719.92,-408.75 5731.64,-444.75\"/>\n",
+       "<text text-anchor=\"middle\" x=\"5702.99\" y=\"-424.02\" font-family=\"Times,serif\" font-size=\"8.00\">5.43</text>\n",
        "</g>\n",
-       "<!-- 5969a43e&#45;6f80&#45;4f3d&#45;9658&#45;99fc0e1a22e1 -->\n",
-       "<g id=\"node156\" class=\"node\">\n",
-       "<title>5969a43e&#45;6f80&#45;4f3d&#45;9658&#45;99fc0e1a22e1</title>\n",
-       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"169.64,-281.25 124.07,-281.25 112.34,-245.25 157.92,-245.25 169.64,-281.25\"/>\n",
-       "<text text-anchor=\"middle\" x=\"140.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">5.43</text>\n",
+       "<!-- sample_2_LatticeParameter&#45;&gt;9e8188f6&#45;d8ae&#45;44d2&#45;a056&#45;91ac677a8b4a -->\n",
+       "<g id=\"edge20\" class=\"edge\">\n",
+       "<title>sample_2_LatticeParameter&#45;&gt;9e8188f6&#45;d8ae&#45;44d2&#45;a056&#45;91ac677a8b4a</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M5655.81,-363.32C5664.91,-368.07 5673.8,-373.92 5680.99,-381 5685.89,-385.83 5689.87,-391.97 5693.02,-398.14\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"5689.69,-399.25 5696.96,-406.95 5696.08,-396.39 5689.69,-399.25\"/>\n",
+       "<text text-anchor=\"middle\" x=\"5724.37\" y=\"-383.15\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasLength_z</text>\n",
        "</g>\n",
-       "<!-- SimulationCell_2Vector02&#45;&gt;5969a43e&#45;6f80&#45;4f3d&#45;9658&#45;99fc0e1a22e1 -->\n",
-       "<g id=\"edge143\" class=\"edge\">\n",
-       "<title>SimulationCell_2Vector02&#45;&gt;5969a43e&#45;6f80&#45;4f3d&#45;9658&#45;99fc0e1a22e1</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M194.61,-196.32C182.05,-201.38 169.69,-208.23 159.99,-217.5 154.95,-222.32 151.18,-228.7 148.39,-235.12\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"144.91,-233.44 144.77,-244.04 151.49,-235.84 144.91,-233.44\"/>\n",
-       "<text text-anchor=\"middle\" x=\"204.99\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasComponent_y</text>\n",
+       "<!-- 5103f9bc&#45;0394&#45;4873&#45;91b9&#45;35cab822cb2f -->\n",
+       "<g id=\"node99\" class=\"node\">\n",
+       "<title>5103f9bc&#45;0394&#45;4873&#45;91b9&#45;35cab822cb2f</title>\n",
+       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"5539.64,-444.75 5494.07,-444.75 5482.34,-408.75 5527.92,-408.75 5539.64,-444.75\"/>\n",
+       "<text text-anchor=\"middle\" x=\"5510.99\" y=\"-424.02\" font-family=\"Times,serif\" font-size=\"8.00\">5.43</text>\n",
        "</g>\n",
-       "<!-- b00a9f4c&#45;4b53&#45;4a9b&#45;aff8&#45;43ffcac410b2 -->\n",
-       "<g id=\"node191\" class=\"node\">\n",
-       "<title>b00a9f4c&#45;4b53&#45;4a9b&#45;aff8&#45;43ffcac410b2</title>\n",
-       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"281.98,-281.25 237.46,-281.25 226,-245.25 270.53,-245.25 281.98,-281.25\"/>\n",
-       "<text text-anchor=\"middle\" x=\"253.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">0.0</text>\n",
+       "<!-- sample_2_LatticeParameter&#45;&gt;5103f9bc&#45;0394&#45;4873&#45;91b9&#45;35cab822cb2f -->\n",
+       "<g id=\"edge72\" class=\"edge\">\n",
+       "<title>sample_2_LatticeParameter&#45;&gt;5103f9bc&#45;0394&#45;4873&#45;91b9&#45;35cab822cb2f</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M5554.88,-363.39C5545.89,-368.08 5537.21,-373.88 5530.24,-381 5525.66,-385.68 5522.09,-391.63 5519.33,-397.65\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"5516.1,-396.3 5515.76,-406.89 5522.63,-398.83 5516.1,-396.3\"/>\n",
+       "<text text-anchor=\"middle\" x=\"5566.37\" y=\"-383.15\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasLength_y</text>\n",
        "</g>\n",
-       "<!-- SimulationCell_2Vector02&#45;&gt;b00a9f4c&#45;4b53&#45;4a9b&#45;aff8&#45;43ffcac410b2 -->\n",
-       "<g id=\"edge201\" class=\"edge\">\n",
-       "<title>SimulationCell_2Vector02&#45;&gt;b00a9f4c&#45;4b53&#45;4a9b&#45;aff8&#45;43ffcac410b2</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M253.99,-199.8C253.99,-209.84 253.99,-222.71 253.99,-234.16\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"250.49,-233.98 253.99,-243.98 257.49,-233.98 250.49,-233.98\"/>\n",
-       "<text text-anchor=\"middle\" x=\"298.99\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasComponent_x</text>\n",
+       "<!-- ffe79257&#45;4af6&#45;4598&#45;80e2&#45;b244aaceaa6d -->\n",
+       "<g id=\"node120\" class=\"node\">\n",
+       "<title>ffe79257&#45;4af6&#45;4598&#45;80e2&#45;b244aaceaa6d</title>\n",
+       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"5635.64,-444.75 5590.07,-444.75 5578.34,-408.75 5623.92,-408.75 5635.64,-444.75\"/>\n",
+       "<text text-anchor=\"middle\" x=\"5606.99\" y=\"-424.02\" font-family=\"Times,serif\" font-size=\"8.00\">5.43</text>\n",
        "</g>\n",
-       "<!-- cmso.Length -->\n",
-       "<g id=\"node71\" class=\"node\">\n",
-       "<title>cmso.Length</title>\n",
-       "<polygon fill=\"#ffffcc\" stroke=\"#ffffcc\" points=\"9739.49,-526.5 9672.49,-526.5 9672.49,-490.5 9739.49,-490.5 9739.49,-526.5\"/>\n",
-       "<text text-anchor=\"middle\" x=\"9705.99\" y=\"-505.77\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.Length</text>\n",
+       "<!-- sample_2_LatticeParameter&#45;&gt;ffe79257&#45;4af6&#45;4598&#45;80e2&#45;b244aaceaa6d -->\n",
+       "<g id=\"edge110\" class=\"edge\">\n",
+       "<title>sample_2_LatticeParameter&#45;&gt;ffe79257&#45;4af6&#45;4598&#45;80e2&#45;b244aaceaa6d</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M5606.99,-363.3C5606.99,-373.23 5606.99,-385.94 5606.99,-397.3\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"5603.49,-396.97 5606.99,-406.97 5610.49,-396.97 5603.49,-396.97\"/>\n",
+       "<text text-anchor=\"middle\" x=\"5643.37\" y=\"-383.15\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasLength_x</text>\n",
        "</g>\n",
-       "<!-- cmso.SimulationCellLength&#45;&gt;cmso.Length -->\n",
-       "<g id=\"edge50\" class=\"edge\">\n",
-       "<title>cmso.SimulationCellLength&#45;&gt;cmso.Length</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M10051.24,-281.74C9985.5,-324.73 9816,-435.56 9741.74,-484.12\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"9740.21,-481.6 9733.75,-490 9744.04,-487.46 9740.21,-481.6\"/>\n",
-       "<text text-anchor=\"middle\" x=\"9919.12\" y=\"-383.15\" font-family=\"Times,serif\" font-size=\"8.00\">subClassOf</text>\n",
+       "<!-- 374b3e69&#45;b077&#45;41e6&#45;8444&#45;70cbbb22179c -->\n",
+       "<g id=\"node39\" class=\"node\">\n",
+       "<title>374b3e69&#45;b077&#45;41e6&#45;8444&#45;70cbbb22179c</title>\n",
+       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"3422.64,-281.25 3377.07,-281.25 3365.34,-245.25 3410.92,-245.25 3422.64,-281.25\"/>\n",
+       "<text text-anchor=\"middle\" x=\"3393.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">3.57</text>\n",
        "</g>\n",
-       "<!-- Atom_2_1_Element -->\n",
-       "<g id=\"node48\" class=\"node\">\n",
-       "<title>Atom_2_1_Element</title>\n",
-       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"2251.87,-199.5 2160.12,-199.5 2160.12,-163.5 2251.87,-163.5 2251.87,-199.5\"/>\n",
-       "<text text-anchor=\"middle\" x=\"2205.99\" y=\"-178.78\" font-family=\"Times,serif\" font-size=\"8.00\">Atom_2_1_Element</text>\n",
+       "<!-- sample_3_SimulationCellLength&#45;&gt;374b3e69&#45;b077&#45;41e6&#45;8444&#45;70cbbb22179c -->\n",
+       "<g id=\"edge21\" class=\"edge\">\n",
+       "<title>sample_3_SimulationCellLength&#45;&gt;374b3e69&#45;b077&#45;41e6&#45;8444&#45;70cbbb22179c</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M3315.51,-199.79C3321.88,-208.61 3330.3,-219.15 3339.24,-227.25 3344.4,-231.92 3350.25,-236.38 3356.16,-240.44\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"3353.86,-243.12 3364.14,-245.67 3357.69,-237.26 3353.86,-243.12\"/>\n",
+       "<text text-anchor=\"middle\" x=\"3376.37\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasLength_x</text>\n",
        "</g>\n",
-       "<!-- de0b8e4d&#45;e4ce&#45;49b1&#45;97e9&#45;09d5e817026c -->\n",
-       "<g id=\"node49\" class=\"node\">\n",
-       "<title>de0b8e4d&#45;e4ce&#45;49b1&#45;97e9&#45;09d5e817026c</title>\n",
-       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"2145.98,-281.25 2101.46,-281.25 2090,-245.25 2134.53,-245.25 2145.98,-281.25\"/>\n",
-       "<text text-anchor=\"middle\" x=\"2117.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">Si</text>\n",
+       "<!-- sample_3_SimulationCellLength&#45;&gt;cmso.SimulationCellLength -->\n",
+       "<g id=\"edge172\" class=\"edge\">\n",
+       "<title>sample_3_SimulationCellLength&#45;&gt;cmso.SimulationCellLength</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M3375.48,-197.92C3378.35,-198.47 3381.2,-199 3383.99,-199.5 3437.5,-209.16 3453.9,-198.92 3504.99,-217.5 3519.1,-222.63 3533.44,-230.68 3545.63,-238.54\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"3543.39,-241.25 3553.65,-243.91 3547.28,-235.44 3543.39,-241.25\"/>\n",
+       "<text text-anchor=\"middle\" x=\"3535.62\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">type</text>\n",
        "</g>\n",
-       "<!-- Atom_2_1_Element&#45;&gt;de0b8e4d&#45;e4ce&#45;49b1&#45;97e9&#45;09d5e817026c -->\n",
-       "<g id=\"edge30\" class=\"edge\">\n",
-       "<title>Atom_2_1_Element&#45;&gt;de0b8e4d&#45;e4ce&#45;49b1&#45;97e9&#45;09d5e817026c</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M2159.63,-195.95C2141.58,-202.2 2123.97,-209.91 2118.74,-217.5 2115.33,-222.46 2113.91,-228.52 2113.6,-234.55\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"2110.12,-234.31 2114.03,-244.16 2117.12,-234.02 2110.12,-234.31\"/>\n",
-       "<text text-anchor=\"middle\" x=\"2151.62\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasSymbol</text>\n",
+       "<!-- adf4e0a8&#45;552d&#45;4e34&#45;97fa&#45;39e7702bd65f -->\n",
+       "<g id=\"node133\" class=\"node\">\n",
+       "<title>adf4e0a8&#45;552d&#45;4e34&#45;97fa&#45;39e7702bd65f</title>\n",
+       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"3497.64,-281.25 3452.07,-281.25 3440.34,-245.25 3485.92,-245.25 3497.64,-281.25\"/>\n",
+       "<text text-anchor=\"middle\" x=\"3468.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">3.57</text>\n",
        "</g>\n",
-       "<!-- Atom_2_1_Element&#45;&gt;cmso.Element -->\n",
-       "<g id=\"edge182\" class=\"edge\">\n",
-       "<title>Atom_2_1_Element&#45;&gt;cmso.Element</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M2215.79,-199.83C2222.5,-209.86 2232.42,-221.58 2244.74,-227.25 2285.61,-246.06 5439.43,-239.03 5483.99,-245.25 5488.71,-245.91 5493.59,-246.83 5498.42,-247.91\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"5497.33,-251.49 5507.88,-250.48 5499,-244.7 5497.33,-251.49\"/>\n",
-       "<text text-anchor=\"middle\" x=\"2253.62\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">type</text>\n",
+       "<!-- sample_3_SimulationCellLength&#45;&gt;adf4e0a8&#45;552d&#45;4e34&#45;97fa&#45;39e7702bd65f -->\n",
+       "<g id=\"edge135\" class=\"edge\">\n",
+       "<title>sample_3_SimulationCellLength&#45;&gt;adf4e0a8&#45;552d&#45;4e34&#45;97fa&#45;39e7702bd65f</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M3370.33,-199.92C3384.47,-204.75 3399.03,-210.6 3411.99,-217.5 3422.29,-222.99 3432.61,-230.38 3441.59,-237.56\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"3439.31,-240.22 3449.23,-243.93 3443.79,-234.84 3439.31,-240.22\"/>\n",
+       "<text text-anchor=\"middle\" x=\"3464.37\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasLength_z</text>\n",
        "</g>\n",
-       "<!-- SimulationCell_2Angle&#45;&gt;cmso.SimulationCellAngle -->\n",
-       "<g id=\"edge88\" class=\"edge\">\n",
-       "<title>SimulationCell_2Angle&#45;&gt;cmso.SimulationCellAngle</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M643,-184.37C728.84,-187.89 903.44,-197.05 1049.99,-217.5 1071.44,-220.49 1076.19,-225.05 1097.74,-227.25 1327.54,-250.72 9100.59,-217.22 9503.76,-245.53\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"9503.17,-249.08 9513.44,-246.49 9503.8,-242.11 9503.17,-249.08\"/>\n",
-       "<text text-anchor=\"middle\" x=\"1106.62\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">type</text>\n",
+       "<!-- 9afd8477&#45;0e09&#45;4808&#45;8eeb&#45;b6a19d0d1bfd -->\n",
+       "<g id=\"node165\" class=\"node\">\n",
+       "<title>9afd8477&#45;0e09&#45;4808&#45;8eeb&#45;b6a19d0d1bfd</title>\n",
+       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"3234.64,-281.25 3189.07,-281.25 3177.34,-245.25 3222.92,-245.25 3234.64,-281.25\"/>\n",
+       "<text text-anchor=\"middle\" x=\"3205.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">3.57</text>\n",
        "</g>\n",
-       "<!-- 74ab88c6&#45;210f&#45;4316&#45;91b9&#45;10d5e3b10f64 -->\n",
-       "<g id=\"node52\" class=\"node\">\n",
-       "<title>74ab88c6&#45;210f&#45;4316&#45;91b9&#45;10d5e3b10f64</title>\n",
-       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"395.64,-281.25 350.07,-281.25 338.34,-245.25 383.92,-245.25 395.64,-281.25\"/>\n",
-       "<text text-anchor=\"middle\" x=\"366.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">90.0</text>\n",
+       "<!-- sample_3_SimulationCellLength&#45;&gt;9afd8477&#45;0e09&#45;4808&#45;8eeb&#45;b6a19d0d1bfd -->\n",
+       "<g id=\"edge189\" class=\"edge\">\n",
+       "<title>sample_3_SimulationCellLength&#45;&gt;9afd8477&#45;0e09&#45;4808&#45;8eeb&#45;b6a19d0d1bfd</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M3277.94,-199.84C3270.16,-205.28 3261.71,-211.45 3254.24,-217.5 3246.58,-223.7 3238.61,-230.8 3231.4,-237.49\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"3229.33,-234.64 3224.45,-244.04 3234.13,-239.73 3229.33,-234.64\"/>\n",
+       "<text text-anchor=\"middle\" x=\"3291.37\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasLength_y</text>\n",
        "</g>\n",
-       "<!-- SimulationCell_2Angle&#45;&gt;74ab88c6&#45;210f&#45;4316&#45;91b9&#45;10d5e3b10f64 -->\n",
-       "<g id=\"edge32\" class=\"edge\">\n",
-       "<title>SimulationCell_2Angle&#45;&gt;74ab88c6&#45;210f&#45;4316&#45;91b9&#45;10d5e3b10f64</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M536.93,-187.56C488.2,-193.02 420.24,-202.94 397.74,-217.5 390.78,-222.01 384.97,-228.7 380.34,-235.55\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"376.94,-233.42 374.77,-243.79 382.93,-237.04 376.94,-233.42\"/>\n",
-       "<text text-anchor=\"middle\" x=\"444.12\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasAngle_gamma</text>\n",
+       "<!-- sample_2 -->\n",
+       "<g id=\"node40\" class=\"node\">\n",
+       "<title>sample_2</title>\n",
+       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"6514.99,-36 6460.99,-36 6460.99,0 6514.99,0 6514.99,-36\"/>\n",
+       "<text text-anchor=\"middle\" x=\"6487.99\" y=\"-15.28\" font-family=\"Times,serif\" font-size=\"8.00\">sample_2</text>\n",
        "</g>\n",
-       "<!-- e51bfa9f&#45;869b&#45;49be&#45;bef4&#45;a5e3c449548e -->\n",
-       "<g id=\"node73\" class=\"node\">\n",
-       "<title>e51bfa9f&#45;869b&#45;49be&#45;bef4&#45;a5e3c449548e</title>\n",
-       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"510.64,-281.25 465.07,-281.25 453.34,-245.25 498.92,-245.25 510.64,-281.25\"/>\n",
-       "<text text-anchor=\"middle\" x=\"481.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">90.0</text>\n",
+       "<!-- sample_2&#45;&gt;cmso.AtomicScaleSample -->\n",
+       "<g id=\"edge102\" class=\"edge\">\n",
+       "<title>sample_2&#45;&gt;cmso.AtomicScaleSample</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M6460.53,-19.12C6239.37,-20.1 4751.78,-27.66 4554.74,-54 4517.53,-58.97 4476.87,-68.94 4443.93,-78.21\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"4443.18,-74.79 4434.53,-80.9 4445.11,-81.52 4443.18,-74.79\"/>\n",
+       "<text text-anchor=\"middle\" x=\"4563.62\" y=\"-56.15\" font-family=\"Times,serif\" font-size=\"8.00\">type</text>\n",
        "</g>\n",
-       "<!-- SimulationCell_2Angle&#45;&gt;e51bfa9f&#45;869b&#45;49be&#45;bef4&#45;a5e3c449548e -->\n",
-       "<g id=\"edge54\" class=\"edge\">\n",
-       "<title>SimulationCell_2Angle&#45;&gt;e51bfa9f&#45;869b&#45;49be&#45;bef4&#45;a5e3c449548e</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M537.16,-195.55C524.22,-200.72 511.23,-207.81 501.24,-217.5 496.22,-222.37 492.44,-228.76 489.61,-235.18\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"486.13,-233.5 485.93,-244.09 492.69,-235.94 486.13,-233.5\"/>\n",
-       "<text text-anchor=\"middle\" x=\"544.37\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasAngle_alpha</text>\n",
-       "</g>\n",
-       "<!-- 0d40b686&#45;f224&#45;467d&#45;a077&#45;e6c8ea3b38d3 -->\n",
-       "<g id=\"node192\" class=\"node\">\n",
-       "<title>0d40b686&#45;f224&#45;467d&#45;a077&#45;e6c8ea3b38d3</title>\n",
-       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"618.64,-281.25 573.07,-281.25 561.34,-245.25 606.92,-245.25 618.64,-281.25\"/>\n",
-       "<text text-anchor=\"middle\" x=\"589.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">90.0</text>\n",
-       "</g>\n",
-       "<!-- SimulationCell_2Angle&#45;&gt;0d40b686&#45;f224&#45;467d&#45;a077&#45;e6c8ea3b38d3 -->\n",
-       "<g id=\"edge204\" class=\"edge\">\n",
-       "<title>SimulationCell_2Angle&#45;&gt;0d40b686&#45;f224&#45;467d&#45;a077&#45;e6c8ea3b38d3</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M589.99,-199.8C589.99,-209.84 589.99,-222.71 589.99,-234.16\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"586.49,-233.98 589.99,-243.98 593.49,-233.98 586.49,-233.98\"/>\n",
-       "<text text-anchor=\"middle\" x=\"630.12\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasAngle_beta</text>\n",
+       "<!-- sample_2_Material -->\n",
+       "<g id=\"node41\" class=\"node\">\n",
+       "<title>sample_2_Material</title>\n",
+       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"6071.74,-117.75 5982.24,-117.75 5982.24,-81.75 6071.74,-81.75 6071.74,-117.75\"/>\n",
+       "<text text-anchor=\"middle\" x=\"6026.99\" y=\"-97.03\" font-family=\"Times,serif\" font-size=\"8.00\">sample_2_Material</text>\n",
        "</g>\n",
-       "<!-- Sample_2 -->\n",
-       "<g id=\"node53\" class=\"node\">\n",
-       "<title>Sample_2</title>\n",
-       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"4229.12,-36 4174.87,-36 4174.87,0 4229.12,0 4229.12,-36\"/>\n",
-       "<text text-anchor=\"middle\" x=\"4201.99\" y=\"-15.28\" font-family=\"Times,serif\" font-size=\"8.00\">Sample_2</text>\n",
+       "<!-- sample_2&#45;&gt;sample_2_Material -->\n",
+       "<g id=\"edge22\" class=\"edge\">\n",
+       "<title>sample_2&#45;&gt;sample_2_Material</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M6460.9,-21.34C6396.53,-27.29 6229.41,-44.99 6082.94,-81.15\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"6082.3,-77.71 6073.46,-83.53 6084.01,-84.49 6082.3,-77.71\"/>\n",
+       "<text text-anchor=\"middle\" x=\"6235.49\" y=\"-56.15\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasMaterial</text>\n",
+       "</g>\n",
+       "<!-- sample_2_ChemicalSpecies -->\n",
+       "<g id=\"node61\" class=\"node\">\n",
+       "<title>sample_2_ChemicalSpecies</title>\n",
+       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"6212.62,-117.75 6089.37,-117.75 6089.37,-81.75 6212.62,-81.75 6212.62,-117.75\"/>\n",
+       "<text text-anchor=\"middle\" x=\"6150.99\" y=\"-97.03\" font-family=\"Times,serif\" font-size=\"8.00\">sample_2_ChemicalSpecies</text>\n",
+       "</g>\n",
+       "<!-- sample_2&#45;&gt;sample_2_ChemicalSpecies -->\n",
+       "<g id=\"edge154\" class=\"edge\">\n",
+       "<title>sample_2&#45;&gt;sample_2_ChemicalSpecies</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M6460.7,-25.46C6409.73,-37.52 6298.5,-63.84 6224.17,-81.43\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"6223.42,-78.01 6214.5,-83.72 6225.04,-84.82 6223.42,-78.01\"/>\n",
+       "<text text-anchor=\"middle\" x=\"6371.99\" y=\"-56.15\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasSpecies</text>\n",
+       "</g>\n",
+       "<!-- sample_2_Position -->\n",
+       "<g id=\"node63\" class=\"node\">\n",
+       "<title>sample_2_Position</title>\n",
+       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"6531.62,-117.75 6444.37,-117.75 6444.37,-81.75 6531.62,-81.75 6531.62,-117.75\"/>\n",
+       "<text text-anchor=\"middle\" x=\"6487.99\" y=\"-97.03\" font-family=\"Times,serif\" font-size=\"8.00\">sample_2_Position</text>\n",
+       "</g>\n",
+       "<!-- sample_2&#45;&gt;sample_2_Position -->\n",
+       "<g id=\"edge129\" class=\"edge\">\n",
+       "<title>sample_2&#45;&gt;sample_2_Position</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M6487.99,-36.3C6487.99,-46.23 6487.99,-58.94 6487.99,-70.3\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"6484.49,-69.97 6487.99,-79.97 6491.49,-69.97 6484.49,-69.97\"/>\n",
+       "<text text-anchor=\"middle\" x=\"6523.99\" y=\"-56.15\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasAttribute</text>\n",
+       "</g>\n",
+       "<!-- sample_2_SimulationCell -->\n",
+       "<g id=\"node84\" class=\"node\">\n",
+       "<title>sample_2_SimulationCell</title>\n",
+       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"7262.74,-117.75 7149.24,-117.75 7149.24,-81.75 7262.74,-81.75 7262.74,-117.75\"/>\n",
+       "<text text-anchor=\"middle\" x=\"7205.99\" y=\"-97.03\" font-family=\"Times,serif\" font-size=\"8.00\">sample_2_SimulationCell</text>\n",
+       "</g>\n",
+       "<!-- sample_2&#45;&gt;sample_2_SimulationCell -->\n",
+       "<g id=\"edge175\" class=\"edge\">\n",
+       "<title>sample_2&#45;&gt;sample_2_SimulationCell</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M6515.26,-22.03C6618.1,-33.45 6984.33,-74.13 7137.68,-91.16\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"7136.95,-94.6 7147.28,-92.23 7137.73,-87.65 7136.95,-94.6\"/>\n",
+       "<text text-anchor=\"middle\" x=\"6935.49\" y=\"-56.15\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasSimulationCell</text>\n",
+       "</g>\n",
+       "<!-- sample_2_Species -->\n",
+       "<g id=\"node94\" class=\"node\">\n",
+       "<title>sample_2_Species</title>\n",
+       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"7369.24,-117.75 7282.74,-117.75 7282.74,-81.75 7369.24,-81.75 7369.24,-117.75\"/>\n",
+       "<text text-anchor=\"middle\" x=\"7325.99\" y=\"-97.03\" font-family=\"Times,serif\" font-size=\"8.00\">sample_2_Species</text>\n",
+       "</g>\n",
+       "<!-- sample_2&#45;&gt;sample_2_Species -->\n",
+       "<g id=\"edge176\" class=\"edge\">\n",
+       "<title>sample_2&#45;&gt;sample_2_Species</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M6515.41,-18.81C6615.63,-18.62 6971.47,-22.27 7271.2,-81.91\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"7270.3,-85.3 7280.8,-83.85 7271.69,-78.44 7270.3,-85.3\"/>\n",
+       "<text text-anchor=\"middle\" x=\"7201.99\" y=\"-56.15\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasAttribute</text>\n",
+       "</g>\n",
+       "<!-- 38373198&#45;728d&#45;4ad7&#45;b7ed&#45;3ebc33692441 -->\n",
+       "<g id=\"node128\" class=\"node\">\n",
+       "<title>38373198&#45;728d&#45;4ad7&#45;b7ed&#45;3ebc33692441</title>\n",
+       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"7442.98,-117.75 7398.46,-117.75 7387,-81.75 7431.53,-81.75 7442.98,-117.75\"/>\n",
+       "<text text-anchor=\"middle\" x=\"7414.99\" y=\"-97.03\" font-family=\"Times,serif\" font-size=\"8.00\">8</text>\n",
        "</g>\n",
-       "<!-- Sample_2&#45;&gt;Atom_2_2 -->\n",
+       "<!-- sample_2&#45;&gt;38373198&#45;728d&#45;4ad7&#45;b7ed&#45;3ebc33692441 -->\n",
+       "<g id=\"edge124\" class=\"edge\">\n",
+       "<title>sample_2&#45;&gt;38373198&#45;728d&#45;4ad7&#45;b7ed&#45;3ebc33692441</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M6515.17,-18.75C6613.45,-18.15 6959.48,-18.84 7241.99,-54 7299.86,-61.2 7317.46,-62.45 7377.02,-81.85\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"7375.76,-85.12 7386.36,-84.93 7377.96,-78.48 7375.76,-85.12\"/>\n",
+       "<text text-anchor=\"middle\" x=\"7361.74\" y=\"-56.15\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasNumberOfAtoms</text>\n",
+       "</g>\n",
+       "<!-- sample_2_Material&#45;&gt;sample_2_CrystalStructure -->\n",
        "<g id=\"edge108\" class=\"edge\">\n",
-       "<title>Sample_2&#45;&gt;Atom_2_2</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M4229.52,-20.87C4385.05,-31.46 5153.21,-83.73 5335.26,-96.11\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"5334.93,-99.67 5345.15,-96.86 5335.41,-92.68 5334.93,-99.67\"/>\n",
-       "<text text-anchor=\"middle\" x=\"4887.49\" y=\"-56.15\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasAtom</text>\n",
-       "</g>\n",
-       "<!-- Sample_2&#45;&gt;Atom_2_4 -->\n",
-       "<g id=\"edge252\" class=\"edge\">\n",
-       "<title>Sample_2&#45;&gt;Atom_2_4</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M4229.38,-20.29C4324.71,-24.77 4650.78,-40.21 4919.99,-54 5226.5,-69.7 5596.36,-90.07 5714.66,-96.62\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"5714.13,-100.15 5724.31,-97.21 5714.52,-93.17 5714.13,-100.15\"/>\n",
-       "<text text-anchor=\"middle\" x=\"5131.49\" y=\"-56.15\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasAtom</text>\n",
-       "</g>\n",
-       "<!-- Sample_2&#45;&gt;SimulationCell_2 -->\n",
-       "<g id=\"edge280\" class=\"edge\">\n",
-       "<title>Sample_2&#45;&gt;SimulationCell_2</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M4174.51,-19.74C3900.27,-27.11 1658.61,-87.34 1286.3,-97.34\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"1286.24,-93.87 1276.34,-97.64 1286.43,-100.87 1286.24,-93.87\"/>\n",
-       "<text text-anchor=\"middle\" x=\"2942.49\" y=\"-56.15\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasSimulationCell</text>\n",
-       "</g>\n",
-       "<!-- Atom_2_1 -->\n",
+       "<title>sample_2_Material&#45;&gt;sample_2_CrystalStructure</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M6028.29,-118.05C6029.04,-127.98 6030,-140.69 6030.85,-152.05\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"6027.34,-152.01 6031.58,-161.72 6034.32,-151.49 6027.34,-152.01\"/>\n",
+       "<text text-anchor=\"middle\" x=\"6067.12\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasStructure</text>\n",
+       "</g>\n",
+       "<!-- cmso.CrystallineMaterial -->\n",
+       "<g id=\"node147\" class=\"node\">\n",
+       "<title>cmso.CrystallineMaterial</title>\n",
+       "<polygon fill=\"#ffffcc\" stroke=\"#ffffcc\" points=\"4042.74,-199.5 3929.24,-199.5 3929.24,-163.5 4042.74,-163.5 4042.74,-199.5\"/>\n",
+       "<text text-anchor=\"middle\" x=\"3985.99\" y=\"-178.78\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.CrystallineMaterial</text>\n",
+       "</g>\n",
+       "<!-- sample_2_Material&#45;&gt;cmso.CrystallineMaterial -->\n",
+       "<g id=\"edge206\" class=\"edge\">\n",
+       "<title>sample_2_Material&#45;&gt;cmso.CrystallineMaterial</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M5981.74,-104.97C5938.65,-108.85 5871.96,-114.47 5813.99,-117.75 5575.46,-131.26 5514.21,-109.56 5276.74,-135.75 5253.48,-138.32 5248.28,-143.15 5224.99,-145.5 4969.16,-171.37 4328.21,-129.91 4054.24,-163.48\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"4054.04,-159.98 4044.57,-164.72 4054.93,-166.92 4054.04,-159.98\"/>\n",
+       "<text text-anchor=\"middle\" x=\"5284.62\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">type</text>\n",
+       "</g>\n",
+       "<!-- sample_1_SimulationCell -->\n",
+       "<g id=\"node43\" class=\"node\">\n",
+       "<title>sample_1_SimulationCell</title>\n",
+       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"1059.74,-117.75 946.24,-117.75 946.24,-81.75 1059.74,-81.75 1059.74,-117.75\"/>\n",
+       "<text text-anchor=\"middle\" x=\"1002.99\" y=\"-97.03\" font-family=\"Times,serif\" font-size=\"8.00\">sample_1_SimulationCell</text>\n",
+       "</g>\n",
+       "<!-- sample_1_SimulationCell&#45;&gt;sample_1_SimulationCellVector_3 -->\n",
+       "<g id=\"edge24\" class=\"edge\">\n",
+       "<title>sample_1_SimulationCell&#45;&gt;sample_1_SimulationCellVector_3</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M1017.53,-118.05C1026.49,-128.71 1038.14,-142.58 1048.18,-154.54\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"1045.4,-156.67 1054.51,-162.07 1050.76,-152.16 1045.4,-156.67\"/>\n",
+       "<text text-anchor=\"middle\" x=\"1071.74\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasVector</text>\n",
+       "</g>\n",
+       "<!-- sample_1_SimulationCell&#45;&gt;sample_1_SimulationCellAngle -->\n",
+       "<g id=\"edge166\" class=\"edge\">\n",
+       "<title>sample_1_SimulationCell&#45;&gt;sample_1_SimulationCellAngle</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M1054.93,-118.19C1071.29,-123.74 1089.42,-129.94 1105.99,-135.75 1127.51,-143.29 1151.06,-151.74 1171.81,-159.25\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"1170.35,-162.44 1180.95,-162.56 1172.74,-155.86 1170.35,-162.44\"/>\n",
+       "<text text-anchor=\"middle\" x=\"1163.62\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasAngle</text>\n",
+       "</g>\n",
+       "<!-- sample_1_SimulationCellVector_2 -->\n",
        "<g id=\"node54\" class=\"node\">\n",
-       "<title>Atom_2_1</title>\n",
-       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"2275.49,-117.75 2220.49,-117.75 2220.49,-81.75 2275.49,-81.75 2275.49,-117.75\"/>\n",
-       "<text text-anchor=\"middle\" x=\"2247.99\" y=\"-97.03\" font-family=\"Times,serif\" font-size=\"8.00\">Atom_2_1</text>\n",
+       "<title>sample_1_SimulationCellVector_2</title>\n",
+       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"327.99,-199.5 179.99,-199.5 179.99,-163.5 327.99,-163.5 327.99,-199.5\"/>\n",
+       "<text text-anchor=\"middle\" x=\"253.99\" y=\"-178.78\" font-family=\"Times,serif\" font-size=\"8.00\">sample_1_SimulationCellVector_2</text>\n",
        "</g>\n",
-       "<!-- Sample_2&#45;&gt;Atom_2_1 -->\n",
-       "<g id=\"edge34\" class=\"edge\">\n",
-       "<title>Sample_2&#45;&gt;Atom_2_1</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M4174.41,-20.09C4066.27,-24.36 3660.8,-40.4 3326.99,-54 2920.21,-70.57 2427.19,-91.23 2286.9,-97.12\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"2286.76,-93.66 2276.92,-97.58 2287.06,-100.65 2286.76,-93.66\"/>\n",
-       "<text text-anchor=\"middle\" x=\"3355.49\" y=\"-56.15\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasAtom</text>\n",
+       "<!-- sample_1_SimulationCell&#45;&gt;sample_1_SimulationCellVector_2 -->\n",
+       "<g id=\"edge30\" class=\"edge\">\n",
+       "<title>sample_1_SimulationCell&#45;&gt;sample_1_SimulationCellVector_2</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M945.77,-106.84C815.08,-120.76 494.04,-154.94 339.65,-171.38\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"339.45,-167.88 329.88,-172.42 340.2,-174.84 339.45,-167.88\"/>\n",
+       "<text text-anchor=\"middle\" x=\"704.74\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasVector</text>\n",
        "</g>\n",
-       "<!-- Atom_2_6 -->\n",
-       "<g id=\"node62\" class=\"node\">\n",
-       "<title>Atom_2_6</title>\n",
-       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"2774.49,-117.75 2719.49,-117.75 2719.49,-81.75 2774.49,-81.75 2774.49,-117.75\"/>\n",
-       "<text text-anchor=\"middle\" x=\"2746.99\" y=\"-97.03\" font-family=\"Times,serif\" font-size=\"8.00\">Atom_2_6</text>\n",
+       "<!-- sample_1_SimulationCellLength -->\n",
+       "<g id=\"node66\" class=\"node\">\n",
+       "<title>sample_1_SimulationCellLength</title>\n",
+       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"629.99,-199.5 487.99,-199.5 487.99,-163.5 629.99,-163.5 629.99,-199.5\"/>\n",
+       "<text text-anchor=\"middle\" x=\"558.99\" y=\"-178.78\" font-family=\"Times,serif\" font-size=\"8.00\">sample_1_SimulationCellLength</text>\n",
        "</g>\n",
-       "<!-- Sample_2&#45;&gt;Atom_2_6 -->\n",
-       "<g id=\"edge177\" class=\"edge\">\n",
-       "<title>Sample_2&#45;&gt;Atom_2_6</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M4174.55,-20.5C3995.56,-30.31 2995.23,-85.14 2785.54,-96.64\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"2785.58,-93.18 2775.78,-97.23 2785.96,-100.17 2785.58,-93.18\"/>\n",
-       "<text text-anchor=\"middle\" x=\"3590.49\" y=\"-56.15\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasAtom</text>\n",
+       "<!-- sample_1_SimulationCell&#45;&gt;sample_1_SimulationCellLength -->\n",
+       "<g id=\"edge192\" class=\"edge\">\n",
+       "<title>sample_1_SimulationCell&#45;&gt;sample_1_SimulationCellLength</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M945.79,-110.67C905.89,-117.62 851.43,-127.16 803.49,-135.75 749.52,-145.42 688.89,-156.52 641.51,-165.24\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"641.07,-161.76 631.87,-167.02 642.34,-168.65 641.07,-161.76\"/>\n",
+       "<text text-anchor=\"middle\" x=\"836.24\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasLength</text>\n",
        "</g>\n",
-       "<!-- Atom_2_5 -->\n",
-       "<g id=\"node67\" class=\"node\">\n",
-       "<title>Atom_2_5</title>\n",
-       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"3574.49,-117.75 3519.49,-117.75 3519.49,-81.75 3574.49,-81.75 3574.49,-117.75\"/>\n",
-       "<text text-anchor=\"middle\" x=\"3546.99\" y=\"-97.03\" font-family=\"Times,serif\" font-size=\"8.00\">Atom_2_5</text>\n",
+       "<!-- sample_1_SimulationCell&#45;&gt;cmso.SimulationCell -->\n",
+       "<g id=\"edge59\" class=\"edge\">\n",
+       "<title>sample_1_SimulationCell&#45;&gt;cmso.SimulationCell</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M1060.1,-102.7C1212.75,-107.94 1643,-122.75 2000.99,-135.75 2116.44,-139.94 2145.25,-142.66 2260.74,-145.5 2429.13,-149.64 3590.76,-138.17 3803.69,-163.64\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"3803.13,-167.1 3813.5,-164.96 3804.06,-160.16 3803.13,-167.1\"/>\n",
+       "<text text-anchor=\"middle\" x=\"2269.62\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">type</text>\n",
        "</g>\n",
-       "<!-- Sample_2&#45;&gt;Atom_2_5 -->\n",
-       "<g id=\"edge129\" class=\"edge\">\n",
-       "<title>Sample_2&#45;&gt;Atom_2_5</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M4174.68,-22.33C4071.6,-34.88 3705.9,-79.4 3585.64,-94.04\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"3585.29,-90.68 3575.78,-95.37 3586.13,-97.63 3585.29,-90.68\"/>\n",
-       "<text text-anchor=\"middle\" x=\"3942.49\" y=\"-56.15\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasAtom</text>\n",
+       "<!-- sample_1_SimulationCellVector_1 -->\n",
+       "<g id=\"node92\" class=\"node\">\n",
+       "<title>sample_1_SimulationCellVector_1</title>\n",
+       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"875.99,-199.5 727.99,-199.5 727.99,-163.5 875.99,-163.5 875.99,-199.5\"/>\n",
+       "<text text-anchor=\"middle\" x=\"801.99\" y=\"-178.78\" font-family=\"Times,serif\" font-size=\"8.00\">sample_1_SimulationCellVector_1</text>\n",
        "</g>\n",
-       "<!-- Atom_2_3 -->\n",
-       "<g id=\"node86\" class=\"node\">\n",
-       "<title>Atom_2_3</title>\n",
-       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"4292.49,-117.75 4237.49,-117.75 4237.49,-81.75 4292.49,-81.75 4292.49,-117.75\"/>\n",
-       "<text text-anchor=\"middle\" x=\"4264.99\" y=\"-97.03\" font-family=\"Times,serif\" font-size=\"8.00\">Atom_2_3</text>\n",
+       "<!-- sample_1_SimulationCell&#45;&gt;sample_1_SimulationCellVector_1 -->\n",
+       "<g id=\"edge99\" class=\"edge\">\n",
+       "<title>sample_1_SimulationCell&#45;&gt;sample_1_SimulationCellVector_1</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M945.94,-116.74C928.28,-122.2 908.89,-128.72 891.49,-135.75 875.53,-142.2 858.51,-150.36 843.64,-157.95\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"842.35,-154.68 835.08,-162.38 845.57,-160.89 842.35,-154.68\"/>\n",
+       "<text text-anchor=\"middle\" x=\"922.74\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasVector</text>\n",
+       "</g>\n",
+       "<!-- 2755f01f&#45;f7bd&#45;4b89&#45;b26e&#45;e72e90f9487c -->\n",
+       "<g id=\"node112\" class=\"node\">\n",
+       "<title>2755f01f&#45;f7bd&#45;4b89&#45;b26e&#45;e72e90f9487c</title>\n",
+       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"977.91,-199.5 911.23,-199.5 894.07,-163.5 960.76,-163.5 977.91,-199.5\"/>\n",
+       "<text text-anchor=\"middle\" x=\"935.99\" y=\"-178.78\" font-family=\"Times,serif\" font-size=\"8.00\">1512.95</text>\n",
+       "</g>\n",
+       "<!-- sample_1_SimulationCell&#45;&gt;2755f01f&#45;f7bd&#45;4b89&#45;b26e&#45;e72e90f9487c -->\n",
+       "<g id=\"edge93\" class=\"edge\">\n",
+       "<title>sample_1_SimulationCell&#45;&gt;2755f01f&#45;f7bd&#45;4b89&#45;b26e&#45;e72e90f9487c</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M981.15,-118.24C975.16,-123.54 968.91,-129.6 963.74,-135.75 959.22,-141.13 954.91,-147.31 951.1,-153.33\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"948.13,-151.47 945.97,-161.84 954.13,-155.08 948.13,-151.47\"/>\n",
+       "<text text-anchor=\"middle\" x=\"996.62\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasVolume</text>\n",
+       "</g>\n",
+       "<!-- cmso.SimulationCellLength&#45;&gt;cmso.Length -->\n",
+       "<g id=\"edge25\" class=\"edge\">\n",
+       "<title>cmso.SimulationCellLength&#45;&gt;cmso.Length</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M3640.2,-279.87C3643.16,-280.38 3646.1,-280.85 3648.99,-281.25 3673.11,-284.6 4069.55,-282.25 4086.99,-299.25 4135,-346.02 4120.94,-433.93 4109.44,-479.1\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"4106.09,-478.1 4106.86,-488.67 4112.85,-479.93 4106.09,-478.1\"/>\n",
+       "<text text-anchor=\"middle\" x=\"4143.12\" y=\"-383.15\" font-family=\"Times,serif\" font-size=\"8.00\">subClassOf</text>\n",
+       "</g>\n",
+       "<!-- unit.ANGSTROM -->\n",
+       "<g id=\"node168\" class=\"node\">\n",
+       "<title>unit.ANGSTROM</title>\n",
+       "<polygon fill=\"#ffffcc\" stroke=\"#ffffcc\" points=\"3997.49,-608.25 3912.49,-608.25 3912.49,-572.25 3997.49,-572.25 3997.49,-608.25\"/>\n",
+       "<text text-anchor=\"middle\" x=\"3954.99\" y=\"-587.52\" font-family=\"Times,serif\" font-size=\"8.00\">unit.ANGSTROM</text>\n",
+       "</g>\n",
+       "<!-- cmso.Length&#45;&gt;unit.ANGSTROM -->\n",
+       "<g id=\"edge202\" class=\"edge\">\n",
+       "<title>cmso.Length&#45;&gt;unit.ANGSTROM</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M4069.31,-526.8C4048.05,-538.42 4019.82,-553.84 3996.73,-566.45\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"3995.29,-563.25 3988.19,-571.12 3998.64,-569.39 3995.29,-563.25\"/>\n",
+       "<text text-anchor=\"middle\" x=\"4063.62\" y=\"-546.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasUnit</text>\n",
+       "</g>\n",
+       "<!-- sample_2_SimulationCellVector_2 -->\n",
+       "<g id=\"node46\" class=\"node\">\n",
+       "<title>sample_2_SimulationCellVector_2</title>\n",
+       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"7526.99,-199.5 7378.99,-199.5 7378.99,-163.5 7526.99,-163.5 7526.99,-199.5\"/>\n",
+       "<text text-anchor=\"middle\" x=\"7452.99\" y=\"-178.78\" font-family=\"Times,serif\" font-size=\"8.00\">sample_2_SimulationCellVector_2</text>\n",
+       "</g>\n",
+       "<!-- sample_2_SimulationCellVector_2&#45;&gt;cmso.SimulationCellVector -->\n",
+       "<g id=\"edge45\" class=\"edge\">\n",
+       "<title>sample_2_SimulationCellVector_2&#45;&gt;cmso.SimulationCellVector</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M7378.88,-198.28C7375.88,-198.73 7372.91,-199.14 7369.99,-199.5 7189.3,-221.84 7141.53,-195.93 6960.74,-217.5 6938.37,-220.17 6933.41,-225.02 6910.99,-227.25 6707.1,-247.54 3471.24,-220.51 3171.21,-245.3\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"3170.91,-241.81 3161.31,-246.29 3171.6,-248.78 3170.91,-241.81\"/>\n",
+       "<text text-anchor=\"middle\" x=\"6968.62\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">type</text>\n",
+       "</g>\n",
+       "<!-- aa9bcecc&#45;6054&#45;414c&#45;9075&#45;a25635ade7dc -->\n",
+       "<g id=\"node47\" class=\"node\">\n",
+       "<title>aa9bcecc&#45;6054&#45;414c&#45;9075&#45;a25635ade7dc</title>\n",
+       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"7685.64,-281.25 7640.07,-281.25 7628.34,-245.25 7673.92,-245.25 7685.64,-281.25\"/>\n",
+       "<text text-anchor=\"middle\" x=\"7656.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">5.43</text>\n",
+       "</g>\n",
+       "<!-- sample_2_SimulationCellVector_2&#45;&gt;aa9bcecc&#45;6054&#45;414c&#45;9075&#45;a25635ade7dc -->\n",
+       "<g id=\"edge26\" class=\"edge\">\n",
+       "<title>sample_2_SimulationCellVector_2&#45;&gt;aa9bcecc&#45;6054&#45;414c&#45;9075&#45;a25635ade7dc</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M7527.38,-197.74C7572.98,-207.1 7622.72,-217.33 7622.99,-217.5 7630.26,-222.08 7636.55,-228.79 7641.67,-235.64\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"7638.56,-237.3 7647.07,-243.61 7644.36,-233.37 7638.56,-237.3\"/>\n",
+       "<text text-anchor=\"middle\" x=\"7677.99\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasComponent_y</text>\n",
+       "</g>\n",
+       "<!-- aa2f535f&#45;ab88&#45;44ae&#45;a566&#45;ef209e1c7a48 -->\n",
+       "<g id=\"node106\" class=\"node\">\n",
+       "<title>aa2f535f&#45;ab88&#45;44ae&#45;a566&#45;ef209e1c7a48</title>\n",
+       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"7797.98,-281.25 7753.46,-281.25 7742,-245.25 7786.53,-245.25 7797.98,-281.25\"/>\n",
+       "<text text-anchor=\"middle\" x=\"7769.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">0.0</text>\n",
+       "</g>\n",
+       "<!-- sample_2_SimulationCellVector_2&#45;&gt;aa2f535f&#45;ab88&#45;44ae&#45;a566&#45;ef209e1c7a48 -->\n",
+       "<g id=\"edge81\" class=\"edge\">\n",
+       "<title>sample_2_SimulationCellVector_2&#45;&gt;aa2f535f&#45;ab88&#45;44ae&#45;a566&#45;ef209e1c7a48</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M7527.13,-198.1C7530.12,-198.6 7533.08,-199.07 7535.99,-199.5 7578.16,-205.79 7688.6,-198.97 7726.99,-217.5 7736.06,-221.88 7744.24,-229.02 7750.96,-236.33\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"7748.05,-238.3 7757.19,-243.67 7753.39,-233.78 7748.05,-238.3\"/>\n",
+       "<text text-anchor=\"middle\" x=\"7785.99\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasComponent_x</text>\n",
        "</g>\n",
-       "<!-- Sample_2&#45;&gt;Atom_2_3 -->\n",
+       "<!-- 5ec4569d&#45;1b12&#45;4f50&#45;afb4&#45;ddd277661066 -->\n",
+       "<g id=\"node153\" class=\"node\">\n",
+       "<title>5ec4569d&#45;1b12&#45;4f50&#45;afb4&#45;ddd277661066</title>\n",
+       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"7571.98,-281.25 7527.46,-281.25 7516,-245.25 7560.53,-245.25 7571.98,-281.25\"/>\n",
+       "<text text-anchor=\"middle\" x=\"7543.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">0.0</text>\n",
+       "</g>\n",
+       "<!-- sample_2_SimulationCellVector_2&#45;&gt;5ec4569d&#45;1b12&#45;4f50&#45;afb4&#45;ddd277661066 -->\n",
+       "<g id=\"edge168\" class=\"edge\">\n",
+       "<title>sample_2_SimulationCellVector_2&#45;&gt;5ec4569d&#45;1b12&#45;4f50&#45;afb4&#45;ddd277661066</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M7497.8,-199.89C7506.53,-204.68 7515.1,-210.52 7521.99,-217.5 7526.82,-222.39 7530.78,-228.56 7533.93,-234.74\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"7530.59,-235.84 7537.87,-243.54 7536.98,-232.98 7530.59,-235.84\"/>\n",
+       "<text text-anchor=\"middle\" x=\"7573.99\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasComponent_z</text>\n",
+       "</g>\n",
+       "<!-- sample_3_SimulationCellVector_3&#45;&gt;cmso.SimulationCellVector -->\n",
+       "<g id=\"edge203\" class=\"edge\">\n",
+       "<title>sample_3_SimulationCellVector_3&#45;&gt;cmso.SimulationCellVector</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M3534.36,-199.79C3549.72,-206.82 3558.75,-215.97 3547.99,-227.25 3534.49,-241.41 3238.23,-242.17 3171.24,-245.68\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"3171.02,-242.19 3161.33,-246.46 3171.57,-249.16 3171.02,-242.19\"/>\n",
+       "<text text-anchor=\"middle\" x=\"3561.62\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">type</text>\n",
+       "</g>\n",
+       "<!-- c8b94f0a&#45;8790&#45;4820&#45;85bc&#45;86fc76e9f43e -->\n",
+       "<g id=\"node49\" class=\"node\">\n",
+       "<title>c8b94f0a&#45;8790&#45;4820&#45;85bc&#45;86fc76e9f43e</title>\n",
+       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"3789.98,-281.25 3745.46,-281.25 3734,-245.25 3778.53,-245.25 3789.98,-281.25\"/>\n",
+       "<text text-anchor=\"middle\" x=\"3761.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">0.0</text>\n",
+       "</g>\n",
+       "<!-- sample_3_SimulationCellVector_3&#45;&gt;c8b94f0a&#45;8790&#45;4820&#45;85bc&#45;86fc76e9f43e -->\n",
+       "<g id=\"edge27\" class=\"edge\">\n",
+       "<title>sample_3_SimulationCellVector_3&#45;&gt;c8b94f0a&#45;8790&#45;4820&#45;85bc&#45;86fc76e9f43e</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M3541.15,-198.01C3544.13,-198.53 3547.09,-199.03 3549.99,-199.5 3616.71,-210.29 3638.12,-192.7 3700.99,-217.5 3713.15,-222.3 3725.08,-230.13 3735.11,-237.91\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"3732.62,-240.39 3742.58,-244 3737.04,-234.96 3732.62,-240.39\"/>\n",
+       "<text text-anchor=\"middle\" x=\"3764.99\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasComponent_x</text>\n",
+       "</g>\n",
+       "<!-- ab4729fb&#45;f47f&#45;4dd0&#45;a7d3&#45;524f13b41e9b -->\n",
+       "<g id=\"node140\" class=\"node\">\n",
+       "<title>ab4729fb&#45;f47f&#45;4dd0&#45;a7d3&#45;524f13b41e9b</title>\n",
+       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"3863.98,-281.25 3819.46,-281.25 3808,-245.25 3852.53,-245.25 3863.98,-281.25\"/>\n",
+       "<text text-anchor=\"middle\" x=\"3835.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">0.0</text>\n",
+       "</g>\n",
+       "<!-- sample_3_SimulationCellVector_3&#45;&gt;ab4729fb&#45;f47f&#45;4dd0&#45;a7d3&#45;524f13b41e9b -->\n",
        "<g id=\"edge151\" class=\"edge\">\n",
-       "<title>Sample_2&#45;&gt;Atom_2_3</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M4225.69,-36.4C4231.81,-41.61 4238.05,-47.64 4242.99,-54 4247.14,-59.34 4250.81,-65.59 4253.9,-71.7\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"4251.15,-73.07 4258.55,-80.66 4257.49,-70.12 4251.15,-73.07\"/>\n",
-       "<text text-anchor=\"middle\" x=\"4278.49\" y=\"-56.15\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasAtom</text>\n",
+       "<title>sample_3_SimulationCellVector_3&#45;&gt;ab4729fb&#45;f47f&#45;4dd0&#45;a7d3&#45;524f13b41e9b</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M3541.12,-198.2C3544.11,-198.67 3547.08,-199.1 3549.99,-199.5 3579.13,-203.46 3789.58,-201.12 3813.99,-217.5 3820.13,-221.62 3824.61,-227.96 3827.87,-234.59\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"3824.5,-235.58 3831.48,-243.55 3831,-232.97 3824.5,-235.58\"/>\n",
+       "<text text-anchor=\"middle\" x=\"3868.99\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasComponent_y</text>\n",
        "</g>\n",
-       "<!-- b58ef121&#45;3040&#45;49de&#45;973e&#45;437347be5bc5 -->\n",
-       "<g id=\"node89\" class=\"node\">\n",
-       "<title>b58ef121&#45;3040&#45;49de&#45;973e&#45;437347be5bc5</title>\n",
-       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"4165.98,-117.75 4121.46,-117.75 4110,-81.75 4154.53,-81.75 4165.98,-117.75\"/>\n",
-       "<text text-anchor=\"middle\" x=\"4137.99\" y=\"-97.03\" font-family=\"Times,serif\" font-size=\"8.00\">8</text>\n",
+       "<!-- 97a2c6a1&#45;153b&#45;4e01&#45;ac11&#45;47f9b1a4a038 -->\n",
+       "<g id=\"node164\" class=\"node\">\n",
+       "<title>97a2c6a1&#45;153b&#45;4e01&#45;ac11&#45;47f9b1a4a038</title>\n",
+       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"3715.64,-281.25 3670.07,-281.25 3658.34,-245.25 3703.92,-245.25 3715.64,-281.25\"/>\n",
+       "<text text-anchor=\"middle\" x=\"3686.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">3.57</text>\n",
        "</g>\n",
-       "<!-- Sample_2&#45;&gt;b58ef121&#45;3040&#45;49de&#45;973e&#45;437347be5bc5 -->\n",
-       "<g id=\"edge69\" class=\"edge\">\n",
-       "<title>Sample_2&#45;&gt;b58ef121&#45;3040&#45;49de&#45;973e&#45;437347be5bc5</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M4174.54,-26.02C4160.23,-31.23 4143.99,-39.93 4135.49,-54 4132.5,-58.95 4131.46,-64.8 4131.49,-70.61\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"4128.1,-70.9 4132.62,-80.48 4135.06,-70.17 4128.1,-70.9\"/>\n",
-       "<text text-anchor=\"middle\" x=\"4187.74\" y=\"-56.15\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasNumberOfAtoms</text>\n",
+       "<!-- sample_3_SimulationCellVector_3&#45;&gt;97a2c6a1&#45;153b&#45;4e01&#45;ac11&#45;47f9b1a4a038 -->\n",
+       "<g id=\"edge187\" class=\"edge\">\n",
+       "<title>sample_3_SimulationCellVector_3&#45;&gt;97a2c6a1&#45;153b&#45;4e01&#45;ac11&#45;47f9b1a4a038</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M3533.8,-199.98C3551.58,-205.13 3570.65,-211.11 3587.99,-217.5 3594.29,-219.82 3624.21,-233.4 3649.52,-245\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"3647.73,-248.03 3658.27,-249.02 3650.65,-241.67 3647.73,-248.03\"/>\n",
+       "<text text-anchor=\"middle\" x=\"3654.99\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasComponent_z</text>\n",
        "</g>\n",
-       "<!-- Material_2 -->\n",
-       "<g id=\"node154\" class=\"node\">\n",
-       "<title>Material_2</title>\n",
-       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"3899.99,-117.75 3841.99,-117.75 3841.99,-81.75 3899.99,-81.75 3899.99,-117.75\"/>\n",
-       "<text text-anchor=\"middle\" x=\"3870.99\" y=\"-97.03\" font-family=\"Times,serif\" font-size=\"8.00\">Material_2</text>\n",
+       "<!-- sample_1_Position -->\n",
+       "<g id=\"node50\" class=\"node\">\n",
+       "<title>sample_1_Position</title>\n",
+       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"1981.62,-117.75 1894.37,-117.75 1894.37,-81.75 1981.62,-81.75 1981.62,-117.75\"/>\n",
+       "<text text-anchor=\"middle\" x=\"1937.99\" y=\"-97.03\" font-family=\"Times,serif\" font-size=\"8.00\">sample_1_Position</text>\n",
        "</g>\n",
-       "<!-- Sample_2&#45;&gt;Material_2 -->\n",
-       "<g id=\"edge167\" class=\"edge\">\n",
-       "<title>Sample_2&#45;&gt;Material_2</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M4174.62,-25.59C4116.11,-39.69 3978.63,-72.82 3910.58,-89.21\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"3910.18,-85.95 3901.28,-91.69 3911.82,-92.75 3910.18,-85.95\"/>\n",
-       "<text text-anchor=\"middle\" x=\"4091.49\" y=\"-56.15\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasMaterial</text>\n",
+       "<!-- 393940c0&#45;cf9e&#45;4741&#45;ae31&#45;6fbe7d6547f8 -->\n",
+       "<g id=\"node51\" class=\"node\">\n",
+       "<title>393940c0&#45;cf9e&#45;4741&#45;ae31&#45;6fbe7d6547f8</title>\n",
+       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"1880.48,-199.5 1714.26,-199.5 1671.5,-163.5 1837.72,-163.5 1880.48,-199.5\"/>\n",
+       "<text text-anchor=\"middle\" x=\"1775.99\" y=\"-178.78\" font-family=\"Times,serif\" font-size=\"8.00\">Rdf_Structure_Store/1.Json</text>\n",
        "</g>\n",
-       "<!-- cmso.AtomicScaleSample -->\n",
-       "<g id=\"node165\" class=\"node\">\n",
-       "<title>cmso.AtomicScaleSample</title>\n",
-       "<polygon fill=\"#ffffcc\" stroke=\"#ffffcc\" points=\"7746.24,-117.75 7629.74,-117.75 7629.74,-81.75 7746.24,-81.75 7746.24,-117.75\"/>\n",
-       "<text text-anchor=\"middle\" x=\"7687.99\" y=\"-97.03\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.AtomicScaleSample</text>\n",
+       "<!-- sample_1_Position&#45;&gt;393940c0&#45;cf9e&#45;4741&#45;ae31&#45;6fbe7d6547f8 -->\n",
+       "<g id=\"edge28\" class=\"edge\">\n",
+       "<title>sample_1_Position&#45;&gt;393940c0&#45;cf9e&#45;4741&#45;ae31&#45;6fbe7d6547f8</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M1902.84,-118.05C1879.04,-129.77 1847.36,-145.36 1821.62,-158.04\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"1820.14,-154.87 1812.71,-162.42 1823.23,-161.15 1820.14,-154.87\"/>\n",
+       "<text text-anchor=\"middle\" x=\"1893.99\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasPath</text>\n",
        "</g>\n",
-       "<!-- Sample_2&#45;&gt;cmso.AtomicScaleSample -->\n",
-       "<g id=\"edge192\" class=\"edge\">\n",
-       "<title>Sample_2&#45;&gt;cmso.AtomicScaleSample</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M4229.33,-18.92C4541.55,-18.08 7426.57,-11.49 7599.99,-54 7618.33,-58.49 7637.17,-67.4 7652.7,-76.1\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"7650.5,-79.45 7660.9,-81.44 7654.01,-73.4 7650.5,-79.45\"/>\n",
-       "<text text-anchor=\"middle\" x=\"7637.62\" y=\"-56.15\" font-family=\"Times,serif\" font-size=\"8.00\">type</text>\n",
-       "</g>\n",
-       "<!-- Atom_2_0 -->\n",
-       "<g id=\"node184\" class=\"node\">\n",
-       "<title>Atom_2_0</title>\n",
-       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"4537.49,-117.75 4482.49,-117.75 4482.49,-81.75 4537.49,-81.75 4537.49,-117.75\"/>\n",
-       "<text text-anchor=\"middle\" x=\"4509.99\" y=\"-97.03\" font-family=\"Times,serif\" font-size=\"8.00\">Atom_2_0</text>\n",
-       "</g>\n",
-       "<!-- Sample_2&#45;&gt;Atom_2_0 -->\n",
-       "<g id=\"edge290\" class=\"edge\">\n",
-       "<title>Sample_2&#45;&gt;Atom_2_0</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M4229.6,-26.15C4284.87,-40.46 4409.21,-72.65 4472.07,-88.93\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"4470.78,-92.47 4481.34,-91.59 4472.54,-85.69 4470.78,-92.47\"/>\n",
-       "<text text-anchor=\"middle\" x=\"4403.49\" y=\"-56.15\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasAtom</text>\n",
-       "</g>\n",
-       "<!-- Atom_2_7 -->\n",
-       "<g id=\"node188\" class=\"node\">\n",
-       "<title>Atom_2_7</title>\n",
-       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"4994.49,-117.75 4939.49,-117.75 4939.49,-81.75 4994.49,-81.75 4994.49,-117.75\"/>\n",
-       "<text text-anchor=\"middle\" x=\"4966.99\" y=\"-97.03\" font-family=\"Times,serif\" font-size=\"8.00\">Atom_2_7</text>\n",
-       "</g>\n",
-       "<!-- Sample_2&#45;&gt;Atom_2_7 -->\n",
-       "<g id=\"edge196\" class=\"edge\">\n",
-       "<title>Sample_2&#45;&gt;Atom_2_7</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M4229.22,-21.84C4344.68,-33.88 4794.12,-80.73 4928.7,-94.76\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"4927.98,-98.31 4938.29,-95.86 4928.71,-91.34 4927.98,-98.31\"/>\n",
-       "<text text-anchor=\"middle\" x=\"4659.49\" y=\"-56.15\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasAtom</text>\n",
+       "<!-- cmso.AtomAttribute -->\n",
+       "<g id=\"node81\" class=\"node\">\n",
+       "<title>cmso.AtomAttribute</title>\n",
+       "<polygon fill=\"#ffffcc\" stroke=\"#ffffcc\" points=\"4970.74,-199.5 4875.24,-199.5 4875.24,-163.5 4970.74,-163.5 4970.74,-199.5\"/>\n",
+       "<text text-anchor=\"middle\" x=\"4922.99\" y=\"-178.78\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.AtomAttribute</text>\n",
        "</g>\n",
-       "<!-- Atom_2_1&#45;&gt;cmso.Atom -->\n",
-       "<g id=\"edge42\" class=\"edge\">\n",
-       "<title>Atom_2_1&#45;&gt;cmso.Atom</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M2275.99,-108.15C2318.09,-118.87 2400.41,-138.23 2471.74,-145.5 2814.33,-180.43 5228.93,-123.71 5570.99,-163.5 5581.99,-164.78 5593.74,-167.05 5604.56,-169.52\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"5603.47,-173.1 5614.01,-172.03 5605.11,-166.29 5603.47,-173.1\"/>\n",
-       "<text text-anchor=\"middle\" x=\"2480.62\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">type</text>\n",
-       "</g>\n",
-       "<!-- Atom_2_1&#45;&gt;Atom_2_1_Position -->\n",
-       "<g id=\"edge278\" class=\"edge\">\n",
-       "<title>Atom_2_1&#45;&gt;Atom_2_1_Position</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M2220.26,-102.17C2164.02,-105.46 2038.72,-114.96 2001.74,-135.75 1993.55,-140.35 1986.45,-147.56 1980.72,-154.85\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"1977.64,-152.14 1974.66,-162.3 1983.33,-156.22 1977.64,-152.14\"/>\n",
-       "<text text-anchor=\"middle\" x=\"2048.12\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasPositionVector</text>\n",
-       "</g>\n",
-       "<!-- Atom_2_1&#45;&gt;Atom_2_1_Element -->\n",
-       "<g id=\"edge178\" class=\"edge\">\n",
-       "<title>Atom_2_1&#45;&gt;Atom_2_1_Element</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M2239.88,-117.88C2235.83,-126.26 2230.78,-136.48 2225.99,-145.5 2224.55,-148.22 2223.01,-151.05 2221.45,-153.85\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"2218.05,-151.74 2216.18,-162.17 2224.15,-155.19 2218.05,-151.74\"/>\n",
-       "<text text-anchor=\"middle\" x=\"2266.49\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasElement</text>\n",
+       "<!-- sample_1_Position&#45;&gt;cmso.AtomAttribute -->\n",
+       "<g id=\"edge143\" class=\"edge\">\n",
+       "<title>sample_1_Position&#45;&gt;cmso.AtomAttribute</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M1981.98,-101.85C2091.91,-104.85 2387.46,-114.4 2632.99,-135.75 2668.13,-138.81 2676.55,-143.18 2711.74,-145.5 2947.21,-161.01 4582.03,-128.87 4863.71,-163.62\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"4863.13,-167.07 4873.51,-164.95 4864.07,-160.13 4863.13,-167.07\"/>\n",
+       "<text text-anchor=\"middle\" x=\"2720.62\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">type</text>\n",
        "</g>\n",
-       "<!-- 268a5752&#45;958b&#45;4c4b&#45;85a9&#45;038e315cfc91 -->\n",
-       "<g id=\"node70\" class=\"node\">\n",
-       "<title>268a5752&#45;958b&#45;4c4b&#45;85a9&#45;038e315cfc91</title>\n",
-       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"2132.98,-199.5 2088.46,-199.5 2077,-163.5 2121.53,-163.5 2132.98,-199.5\"/>\n",
-       "<text text-anchor=\"middle\" x=\"2104.99\" y=\"-178.78\" font-family=\"Times,serif\" font-size=\"8.00\">4</text>\n",
+       "<!-- 92b3cd74&#45;2aa4&#45;4944&#45;a672&#45;ca1f8f2c5f7a -->\n",
+       "<g id=\"node122\" class=\"node\">\n",
+       "<title>92b3cd74&#45;2aa4&#45;4944&#45;a672&#45;ca1f8f2c5f7a</title>\n",
+       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"1977.39,-199.5 1914.72,-199.5 1898.6,-163.5 1961.27,-163.5 1977.39,-199.5\"/>\n",
+       "<text text-anchor=\"middle\" x=\"1937.99\" y=\"-178.78\" font-family=\"Times,serif\" font-size=\"8.00\">Position</text>\n",
        "</g>\n",
-       "<!-- Atom_2_1&#45;&gt;268a5752&#45;958b&#45;4c4b&#45;85a9&#45;038e315cfc91 -->\n",
-       "<g id=\"edge49\" class=\"edge\">\n",
-       "<title>Atom_2_1&#45;&gt;268a5752&#45;958b&#45;4c4b&#45;85a9&#45;038e315cfc91</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M2220.23,-103.37C2182.06,-107.62 2116.44,-117.43 2101.99,-135.75 2098.26,-140.49 2097.06,-146.46 2097.2,-152.48\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"2093.83,-152.69 2098.65,-162.12 2100.77,-151.74 2093.83,-152.69\"/>\n",
-       "<text text-anchor=\"middle\" x=\"2161.99\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasCoordinationNumber</text>\n",
+       "<!-- sample_1_Position&#45;&gt;92b3cd74&#45;2aa4&#45;4944&#45;a672&#45;ca1f8f2c5f7a -->\n",
+       "<g id=\"edge114\" class=\"edge\">\n",
+       "<title>sample_1_Position&#45;&gt;92b3cd74&#45;2aa4&#45;4944&#45;a672&#45;ca1f8f2c5f7a</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M1937.99,-118.05C1937.99,-127.98 1937.99,-140.69 1937.99,-152.05\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"1934.49,-151.72 1937.99,-161.72 1941.49,-151.72 1934.49,-151.72\"/>\n",
+       "<text text-anchor=\"middle\" x=\"1967.62\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasName</text>\n",
        "</g>\n",
-       "<!-- Atom_3_1_Element&#45;&gt;cmso.Element -->\n",
-       "<g id=\"edge150\" class=\"edge\">\n",
-       "<title>Atom_3_1_Element&#45;&gt;cmso.Element</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M8079.68,-197.71C8076.76,-198.39 8073.85,-199 8070.99,-199.5 7910.49,-227.79 7865,-187.86 7704.74,-217.5 7691.06,-220.03 7688.72,-225 7674.99,-227.25 7449.5,-264.26 5861.99,-204.33 5591.51,-245.61\"/>\n",
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-       "<text text-anchor=\"middle\" x=\"7713.62\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">type</text>\n",
-       "</g>\n",
-       "<!-- ec7ef95b&#45;2c6b&#45;4e19&#45;b988&#45;a6fd6976d680 -->\n",
-       "<g id=\"node201\" class=\"node\">\n",
-       "<title>ec7ef95b&#45;2c6b&#45;4e19&#45;b988&#45;a6fd6976d680</title>\n",
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-       "<text text-anchor=\"middle\" x=\"8405.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">Ni</text>\n",
-       "</g>\n",
-       "<!-- Atom_3_1_Element&#45;&gt;ec7ef95b&#45;2c6b&#45;4e19&#45;b988&#45;a6fd6976d680 -->\n",
-       "<g id=\"edge222\" class=\"edge\">\n",
-       "<title>Atom_3_1_Element&#45;&gt;ec7ef95b&#45;2c6b&#45;4e19&#45;b988&#45;a6fd6976d680</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M8172.08,-191.95C8185.85,-194.6 8201,-197.34 8214.99,-199.5 8282.66,-209.93 8307.64,-185.16 8367.99,-217.5 8376.39,-222 8383.72,-229.17 8389.64,-236.47\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"8387.16,-238 8395.93,-243.95 8392.78,-233.83 8387.16,-238\"/>\n",
-       "<text text-anchor=\"middle\" x=\"8413.62\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasSymbol</text>\n",
-       "</g>\n",
-       "<!-- SimulationCell_1Vector02 -->\n",
-       "<g id=\"node56\" class=\"node\">\n",
-       "<title>SimulationCell_1Vector02</title>\n",
-       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"13049.99,-199.5 12931.99,-199.5 12931.99,-163.5 13049.99,-163.5 13049.99,-199.5\"/>\n",
-       "<text text-anchor=\"middle\" x=\"12990.99\" y=\"-178.78\" font-family=\"Times,serif\" font-size=\"8.00\">SimulationCell_1Vector02</text>\n",
+       "<!-- a9b4141c&#45;0632&#45;4439&#45;8860&#45;d08951637a81 -->\n",
+       "<g id=\"node135\" class=\"node\">\n",
+       "<title>a9b4141c&#45;0632&#45;4439&#45;8860&#45;d08951637a81</title>\n",
+       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"1653.31,-199.5 1385.55,-199.5 1316.67,-163.5 1584.43,-163.5 1653.31,-199.5\"/>\n",
+       "<text text-anchor=\"middle\" x=\"1484.99\" y=\"-178.78\" font-family=\"Times,serif\" font-size=\"8.00\">3D81Bcb3&#45;7B80&#45;44F9&#45;A30E&#45;627166242012</text>\n",
        "</g>\n",
-       "<!-- SimulationCell_1Vector02&#45;&gt;cmso.SimulationCellVector -->\n",
-       "<g id=\"edge36\" class=\"edge\">\n",
-       "<title>SimulationCell_1Vector02&#45;&gt;cmso.SimulationCellVector</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M12931.55,-186.9C12876.67,-190.81 12792.88,-196.36 12719.99,-199.5 12377.88,-214.22 12291.1,-190.4 11949.74,-217.5 11917.66,-220.05 11910.09,-224.94 11877.99,-227.25 11648.76,-243.74 10056.58,-216.93 9783.39,-245.24\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"9783.34,-241.84 9773.8,-246.45 9784.13,-248.8 9783.34,-241.84\"/>\n",
-       "<text text-anchor=\"middle\" x=\"11958.62\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">type</text>\n",
+       "<!-- sample_1_Position&#45;&gt;a9b4141c&#45;0632&#45;4439&#45;8860&#45;d08951637a81 -->\n",
+       "<g id=\"edge139\" class=\"edge\">\n",
+       "<title>sample_1_Position&#45;&gt;a9b4141c&#45;0632&#45;4439&#45;8860&#45;d08951637a81</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M1894.15,-108.47C1825.69,-120.52 1691.33,-144.17 1595.25,-161.09\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"1594.76,-157.62 1585.51,-162.8 1595.97,-164.52 1594.76,-157.62\"/>\n",
+       "<text text-anchor=\"middle\" x=\"1775.37\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasIdentifier</text>\n",
        "</g>\n",
-       "<!-- 1b7470fb&#45;a64f&#45;4bdf&#45;a0c6&#45;610f8a984747 -->\n",
-       "<g id=\"node162\" class=\"node\">\n",
-       "<title>1b7470fb&#45;a64f&#45;4bdf&#45;a0c6&#45;610f8a984747</title>\n",
-       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"13244.98,-281.25 13200.46,-281.25 13189,-245.25 13233.53,-245.25 13244.98,-281.25\"/>\n",
-       "<text text-anchor=\"middle\" x=\"13216.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">0.0</text>\n",
+       "<!-- sample_1_UnitCell&#45;&gt;sample_1_LatticeParameter -->\n",
+       "<g id=\"edge113\" class=\"edge\">\n",
+       "<title>sample_1_UnitCell&#45;&gt;sample_1_LatticeParameter</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M1834.63,-279.33C1837.44,-280.05 1840.25,-280.69 1842.99,-281.25 2069.16,-327.03 2342.99,-339.41 2471.98,-342.76\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"2471.66,-346.25 2481.75,-343 2471.84,-339.26 2471.66,-346.25\"/>\n",
+       "<text text-anchor=\"middle\" x=\"2045.87\" y=\"-301.4\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasLatticeParamter</text>\n",
        "</g>\n",
-       "<!-- SimulationCell_1Vector02&#45;&gt;1b7470fb&#45;a64f&#45;4bdf&#45;a0c6&#45;610f8a984747 -->\n",
-       "<g id=\"edge152\" class=\"edge\">\n",
-       "<title>SimulationCell_1Vector02&#45;&gt;1b7470fb&#45;a64f&#45;4bdf&#45;a0c6&#45;610f8a984747</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M13050.39,-188.58C13098.31,-194.34 13161.19,-204.11 13182.99,-217.5 13190.48,-222.1 13196.9,-228.99 13202.08,-236\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"13199.5,-237.42 13207.97,-243.78 13205.31,-233.52 13199.5,-237.42\"/>\n",
-       "<text text-anchor=\"middle\" x=\"13238.99\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasComponent_x</text>\n",
-       "</g>\n",
-       "<!-- 9161089c&#45;6527&#45;4e0b&#45;be5b&#45;6103455c3dd0 -->\n",
-       "<g id=\"node202\" class=\"node\">\n",
-       "<title>9161089c&#45;6527&#45;4e0b&#45;be5b&#45;6103455c3dd0</title>\n",
-       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"13019.64,-281.25 12974.07,-281.25 12962.34,-245.25 13007.92,-245.25 13019.64,-281.25\"/>\n",
-       "<text text-anchor=\"middle\" x=\"12990.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">2.87</text>\n",
-       "</g>\n",
-       "<!-- SimulationCell_1Vector02&#45;&gt;9161089c&#45;6527&#45;4e0b&#45;be5b&#45;6103455c3dd0 -->\n",
-       "<g id=\"edge224\" class=\"edge\">\n",
-       "<title>SimulationCell_1Vector02&#45;&gt;9161089c&#45;6527&#45;4e0b&#45;be5b&#45;6103455c3dd0</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M12990.99,-199.8C12990.99,-209.84 12990.99,-222.71 12990.99,-234.16\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"12987.49,-233.98 12990.99,-243.98 12994.49,-233.98 12987.49,-233.98\"/>\n",
-       "<text text-anchor=\"middle\" x=\"13035.99\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasComponent_y</text>\n",
-       "</g>\n",
-       "<!-- d616bd4d&#45;7dca&#45;4a97&#45;a565&#45;95dfb0fe73a6 -->\n",
-       "<g id=\"node250\" class=\"node\">\n",
-       "<title>d616bd4d&#45;7dca&#45;4a97&#45;a565&#45;95dfb0fe73a6</title>\n",
-       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"13131.98,-281.25 13087.46,-281.25 13076,-245.25 13120.53,-245.25 13131.98,-281.25\"/>\n",
-       "<text text-anchor=\"middle\" x=\"13103.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">0.0</text>\n",
-       "</g>\n",
-       "<!-- SimulationCell_1Vector02&#45;&gt;d616bd4d&#45;7dca&#45;4a97&#45;a565&#45;95dfb0fe73a6 -->\n",
-       "<g id=\"edge316\" class=\"edge\">\n",
-       "<title>SimulationCell_1Vector02&#45;&gt;d616bd4d&#45;7dca&#45;4a97&#45;a565&#45;95dfb0fe73a6</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M13050.03,-197.8C13061.55,-202.74 13072.87,-209.16 13081.99,-217.5 13087.28,-222.33 13091.44,-228.71 13094.66,-235.13\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"13091.77,-236.26 13098.96,-244.04 13098.19,-233.48 13091.77,-236.26\"/>\n",
-       "<text text-anchor=\"middle\" x=\"13133.99\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasComponent_z</text>\n",
-       "</g>\n",
-       "<!-- Atom_2_0_Position -->\n",
-       "<g id=\"node57\" class=\"node\">\n",
-       "<title>Atom_2_0_Position</title>\n",
-       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"4439.74,-199.5 4350.24,-199.5 4350.24,-163.5 4439.74,-163.5 4439.74,-199.5\"/>\n",
-       "<text text-anchor=\"middle\" x=\"4394.99\" y=\"-178.78\" font-family=\"Times,serif\" font-size=\"8.00\">Atom_2_0_Position</text>\n",
+       "<!-- sample_1_UnitCell&#45;&gt;cmso.UnitCell -->\n",
+       "<g id=\"edge181\" class=\"edge\">\n",
+       "<title>sample_1_UnitCell&#45;&gt;cmso.UnitCell</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M1834.58,-279.6C1837.41,-280.24 1840.23,-280.81 1842.99,-281.25 1963.89,-300.67 3924.57,-296.52 4046.99,-299.25 4386.24,-306.8 4472.1,-295.76 4809.99,-327 4832.08,-329.04 4856.42,-332.5 4876.91,-335.77\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"4876.25,-339.21 4886.68,-337.37 4877.38,-332.3 4876.25,-339.21\"/>\n",
+       "<text text-anchor=\"middle\" x=\"4569.62\" y=\"-301.4\" font-family=\"Times,serif\" font-size=\"8.00\">type</text>\n",
        "</g>\n",
-       "<!-- Atom_2_0_Position&#45;&gt;cmso.PositionVector -->\n",
-       "<g id=\"edge145\" class=\"edge\">\n",
-       "<title>Atom_2_0_Position&#45;&gt;cmso.PositionVector</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M4440.21,-193.2C4450.91,-195.5 4462.32,-197.76 4472.99,-199.5 4545.36,-211.32 4564.86,-204.3 4636.99,-217.5 4654.04,-220.62 4657.57,-224.91 4674.74,-227.25 4894.8,-257.23 5452.77,-225.62 5673.99,-245.25 5689.53,-246.63 5706.24,-248.92 5721.69,-251.39\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"5720.72,-254.94 5731.15,-253.11 5721.85,-248.03 5720.72,-254.94\"/>\n",
-       "<text text-anchor=\"middle\" x=\"4683.62\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">type</text>\n",
+       "<!-- sample_1_LatticeAngle -->\n",
+       "<g id=\"node53\" class=\"node\">\n",
+       "<title>sample_1_LatticeAngle</title>\n",
+       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"3360.37,-363 3253.62,-363 3253.62,-327 3360.37,-327 3360.37,-363\"/>\n",
+       "<text text-anchor=\"middle\" x=\"3306.99\" y=\"-342.27\" font-family=\"Times,serif\" font-size=\"8.00\">sample_1_LatticeAngle</text>\n",
+       "</g>\n",
+       "<!-- sample_1_UnitCell&#45;&gt;sample_1_LatticeAngle -->\n",
+       "<g id=\"edge29\" class=\"edge\">\n",
+       "<title>sample_1_UnitCell&#45;&gt;sample_1_LatticeAngle</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M1834.6,-279.48C1837.42,-280.16 1840.23,-280.76 1842.99,-281.25 1912.66,-293.68 2967.64,-331.92 3242.12,-341.7\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"3241.83,-345.2 3251.95,-342.05 3242.08,-338.2 3241.83,-345.2\"/>\n",
+       "<text text-anchor=\"middle\" x=\"2381.62\" y=\"-301.4\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasAngle</text>\n",
        "</g>\n",
-       "<!-- 1dee772c&#45;713a&#45;443c&#45;90f9&#45;6a8971a965d3 -->\n",
+       "<!-- wiki.Q851536 -->\n",
        "<g id=\"node58\" class=\"node\">\n",
-       "<title>1dee772c&#45;713a&#45;443c&#45;90f9&#45;6a8971a965d3</title>\n",
-       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"4372.98,-281.25 4328.46,-281.25 4317,-245.25 4361.53,-245.25 4372.98,-281.25\"/>\n",
-       "<text text-anchor=\"middle\" x=\"4344.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">0.0</text>\n",
+       "<title>wiki.Q851536</title>\n",
+       "<polygon fill=\"#ffffcc\" stroke=\"#ffffcc\" points=\"1826.12,-363 1753.87,-363 1753.87,-327 1826.12,-327 1826.12,-363\"/>\n",
+       "<text text-anchor=\"middle\" x=\"1789.99\" y=\"-342.27\" font-family=\"Times,serif\" font-size=\"8.00\">wiki.Q851536</text>\n",
        "</g>\n",
-       "<!-- Atom_2_0_Position&#45;&gt;1dee772c&#45;713a&#45;443c&#45;90f9&#45;6a8971a965d3 -->\n",
-       "<g id=\"edge38\" class=\"edge\">\n",
-       "<title>Atom_2_0_Position&#45;&gt;1dee772c&#45;713a&#45;443c&#45;90f9&#45;6a8971a965d3</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M4361.64,-199.85C4355.38,-204.69 4349.66,-210.57 4345.99,-217.5 4343.34,-222.52 4342.12,-228.33 4341.73,-234.06\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"4338.24,-233.8 4341.85,-243.76 4345.23,-233.72 4338.24,-233.8\"/>\n",
-       "<text text-anchor=\"middle\" x=\"4390.99\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasComponent_x</text>\n",
+       "<!-- sample_1_UnitCell&#45;&gt;wiki.Q851536 -->\n",
+       "<g id=\"edge33\" class=\"edge\">\n",
+       "<title>sample_1_UnitCell&#45;&gt;wiki.Q851536</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M1789.99,-281.55C1789.99,-291.48 1789.99,-304.19 1789.99,-315.55\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"1786.49,-315.22 1789.99,-325.22 1793.49,-315.22 1786.49,-315.22\"/>\n",
+       "<text text-anchor=\"middle\" x=\"1836.12\" y=\"-301.4\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasBravaisLattice</text>\n",
        "</g>\n",
-       "<!-- 18612234&#45;fcc9&#45;4384&#45;afd0&#45;b126f7cb01f1 -->\n",
-       "<g id=\"node118\" class=\"node\">\n",
-       "<title>18612234&#45;fcc9&#45;4384&#45;afd0&#45;b126f7cb01f1</title>\n",
-       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"4485.98,-281.25 4441.46,-281.25 4430,-245.25 4474.53,-245.25 4485.98,-281.25\"/>\n",
-       "<text text-anchor=\"middle\" x=\"4457.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">0.0</text>\n",
+       "<!-- 0287bbb2&#45;00ca&#45;482a&#45;b24d&#45;628e6a39997d -->\n",
+       "<g id=\"node76\" class=\"node\">\n",
+       "<title>0287bbb2&#45;00ca&#45;482a&#45;b24d&#45;628e6a39997d</title>\n",
+       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"3232.64,-444.75 3187.07,-444.75 3175.34,-408.75 3220.92,-408.75 3232.64,-444.75\"/>\n",
+       "<text text-anchor=\"middle\" x=\"3203.99\" y=\"-424.02\" font-family=\"Times,serif\" font-size=\"8.00\">90.0</text>\n",
        "</g>\n",
-       "<!-- Atom_2_0_Position&#45;&gt;18612234&#45;fcc9&#45;4384&#45;afd0&#45;b126f7cb01f1 -->\n",
-       "<g id=\"edge95\" class=\"edge\">\n",
-       "<title>Atom_2_0_Position&#45;&gt;18612234&#45;fcc9&#45;4384&#45;afd0&#45;b126f7cb01f1</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M4418.69,-199.9C4424.81,-205.11 4431.05,-211.14 4435.99,-217.5 4440.14,-222.84 4443.81,-229.09 4446.9,-235.2\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"4444.15,-236.57 4451.55,-244.16 4450.49,-233.62 4444.15,-236.57\"/>\n",
-       "<text text-anchor=\"middle\" x=\"4487.99\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasComponent_y</text>\n",
+       "<!-- sample_1_LatticeAngle&#45;&gt;0287bbb2&#45;00ca&#45;482a&#45;b24d&#45;628e6a39997d -->\n",
+       "<g id=\"edge51\" class=\"edge\">\n",
+       "<title>sample_1_LatticeAngle&#45;&gt;0287bbb2&#45;00ca&#45;482a&#45;b24d&#45;628e6a39997d</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M3253.25,-360.97C3242.16,-365.96 3231.27,-372.5 3222.74,-381 3217.93,-385.8 3214.28,-392.02 3211.55,-398.29\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"3208.43,-396.63 3208.29,-407.23 3215.01,-399.03 3208.43,-396.63\"/>\n",
+       "<text text-anchor=\"middle\" x=\"3263.12\" y=\"-383.15\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasAngle_beta</text>\n",
        "</g>\n",
-       "<!-- 2e85e9a6&#45;5390&#45;4a2c&#45;ad10&#45;ac0bee2e73b5 -->\n",
-       "<g id=\"node142\" class=\"node\">\n",
-       "<title>2e85e9a6&#45;5390&#45;4a2c&#45;ad10&#45;ac0bee2e73b5</title>\n",
-       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"4219.98,-281.25 4175.46,-281.25 4164,-245.25 4208.53,-245.25 4219.98,-281.25\"/>\n",
-       "<text text-anchor=\"middle\" x=\"4191.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">0.0</text>\n",
+       "<!-- cmso.LatticeAngle -->\n",
+       "<g id=\"node79\" class=\"node\">\n",
+       "<title>cmso.LatticeAngle</title>\n",
+       "<polygon fill=\"#ffffcc\" stroke=\"#ffffcc\" points=\"4071.37,-444.75 3982.62,-444.75 3982.62,-408.75 4071.37,-408.75 4071.37,-444.75\"/>\n",
+       "<text text-anchor=\"middle\" x=\"4026.99\" y=\"-424.02\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.LatticeAngle</text>\n",
        "</g>\n",
-       "<!-- Atom_2_0_Position&#45;&gt;2e85e9a6&#45;5390&#45;4a2c&#45;ad10&#45;ac0bee2e73b5 -->\n",
-       "<g id=\"edge125\" class=\"edge\">\n",
-       "<title>Atom_2_0_Position&#45;&gt;2e85e9a6&#45;5390&#45;4a2c&#45;ad10&#45;ac0bee2e73b5</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M4349.93,-196.91C4346.25,-197.86 4342.57,-198.74 4338.99,-199.5 4307.01,-206.27 4214.92,-193.25 4192.99,-217.5 4188.89,-222.04 4187.21,-228.02 4186.86,-234.13\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"4183.41,-234.16 4187.42,-243.97 4190.4,-233.8 4183.41,-234.16\"/>\n",
-       "<text text-anchor=\"middle\" x=\"4237.99\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasComponent_z</text>\n",
+       "<!-- sample_1_LatticeAngle&#45;&gt;cmso.LatticeAngle -->\n",
+       "<g id=\"edge53\" class=\"edge\">\n",
+       "<title>sample_1_LatticeAngle&#45;&gt;cmso.LatticeAngle</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M3360.81,-351.96C3493.57,-366.67 3835.68,-404.56 3970.85,-419.53\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"3970.3,-422.99 3980.62,-420.61 3971.07,-416.03 3970.3,-422.99\"/>\n",
+       "<text text-anchor=\"middle\" x=\"3719.62\" y=\"-383.15\" font-family=\"Times,serif\" font-size=\"8.00\">type</text>\n",
        "</g>\n",
-       "<!-- UnitCell_2LatticeParameter -->\n",
-       "<g id=\"node60\" class=\"node\">\n",
-       "<title>UnitCell_2LatticeParameter</title>\n",
-       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"6356.74,-363 6231.24,-363 6231.24,-327 6356.74,-327 6356.74,-363\"/>\n",
-       "<text text-anchor=\"middle\" x=\"6293.99\" y=\"-342.27\" font-family=\"Times,serif\" font-size=\"8.00\">UnitCell_2LatticeParameter</text>\n",
+       "<!-- dd64d249&#45;4638&#45;4adb&#45;a727&#45;0c6c43e0058e -->\n",
+       "<g id=\"node151\" class=\"node\">\n",
+       "<title>dd64d249&#45;4638&#45;4adb&#45;a727&#45;0c6c43e0058e</title>\n",
+       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"3335.64,-444.75 3290.07,-444.75 3278.34,-408.75 3323.92,-408.75 3335.64,-444.75\"/>\n",
+       "<text text-anchor=\"middle\" x=\"3306.99\" y=\"-424.02\" font-family=\"Times,serif\" font-size=\"8.00\">90.0</text>\n",
        "</g>\n",
-       "<!-- UnitCell_2LatticeParameter&#45;&gt;cmso.LatticeParameter -->\n",
-       "<g id=\"edge41\" class=\"edge\">\n",
-       "<title>UnitCell_2LatticeParameter&#45;&gt;cmso.LatticeParameter</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M6357.23,-350.99C6411.91,-355.06 6493.11,-360.54 6563.99,-363 6864.71,-373.46 8972.14,-355.93 9271.99,-381 9345.42,-387.14 9428.77,-401.64 9484.69,-412.49\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"9483.67,-416.05 9494.16,-414.54 9485.01,-409.18 9483.67,-416.05\"/>\n",
-       "<text text-anchor=\"middle\" x=\"9365.62\" y=\"-383.15\" font-family=\"Times,serif\" font-size=\"8.00\">type</text>\n",
+       "<!-- sample_1_LatticeAngle&#45;&gt;dd64d249&#45;4638&#45;4adb&#45;a727&#45;0c6c43e0058e -->\n",
+       "<g id=\"edge165\" class=\"edge\">\n",
+       "<title>sample_1_LatticeAngle&#45;&gt;dd64d249&#45;4638&#45;4adb&#45;a727&#45;0c6c43e0058e</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M3306.99,-363.3C3306.99,-373.23 3306.99,-385.94 3306.99,-397.3\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"3303.49,-396.97 3306.99,-406.97 3310.49,-396.97 3303.49,-396.97\"/>\n",
+       "<text text-anchor=\"middle\" x=\"3349.37\" y=\"-383.15\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasAngle_alpha</text>\n",
        "</g>\n",
-       "<!-- ee224841&#45;5428&#45;4ee5&#45;a360&#45;8c89a31bd896 -->\n",
-       "<g id=\"node107\" class=\"node\">\n",
-       "<title>ee224841&#45;5428&#45;4ee5&#45;a360&#45;8c89a31bd896</title>\n",
-       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"6226.64,-444.75 6181.07,-444.75 6169.34,-408.75 6214.92,-408.75 6226.64,-444.75\"/>\n",
-       "<text text-anchor=\"middle\" x=\"6197.99\" y=\"-424.02\" font-family=\"Times,serif\" font-size=\"8.00\">5.43</text>\n",
+       "<!-- 8ed4c927&#45;1ad5&#45;4964&#45;b6f7&#45;ccb251820469 -->\n",
+       "<g id=\"node170\" class=\"node\">\n",
+       "<title>8ed4c927&#45;1ad5&#45;4964&#45;b6f7&#45;ccb251820469</title>\n",
+       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"3443.64,-444.75 3398.07,-444.75 3386.34,-408.75 3431.92,-408.75 3443.64,-444.75\"/>\n",
+       "<text text-anchor=\"middle\" x=\"3414.99\" y=\"-424.02\" font-family=\"Times,serif\" font-size=\"8.00\">90.0</text>\n",
        "</g>\n",
-       "<!-- UnitCell_2LatticeParameter&#45;&gt;ee224841&#45;5428&#45;4ee5&#45;a360&#45;8c89a31bd896 -->\n",
-       "<g id=\"edge83\" class=\"edge\">\n",
-       "<title>UnitCell_2LatticeParameter&#45;&gt;ee224841&#45;5428&#45;4ee5&#45;a360&#45;8c89a31bd896</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M6241.88,-363.39C6232.89,-368.08 6224.21,-373.88 6217.24,-381 6212.54,-385.8 6208.91,-391.93 6206.13,-398.1\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"6202.53,-396.71 6202.22,-407.3 6209.06,-399.22 6202.53,-396.71\"/>\n",
-       "<text text-anchor=\"middle\" x=\"6254.37\" y=\"-383.15\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasLength_z</text>\n",
+       "<!-- sample_1_LatticeAngle&#45;&gt;8ed4c927&#45;1ad5&#45;4964&#45;b6f7&#45;ccb251820469 -->\n",
+       "<g id=\"edge195\" class=\"edge\">\n",
+       "<title>sample_1_LatticeAngle&#45;&gt;8ed4c927&#45;1ad5&#45;4964&#45;b6f7&#45;ccb251820469</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M3360.57,-360.8C3372.22,-365.83 3383.79,-372.43 3392.99,-381 3398.1,-385.76 3402.18,-391.97 3405.36,-398.24\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"3402.08,-399.47 3409.3,-407.22 3408.49,-396.65 3402.08,-399.47\"/>\n",
+       "<text text-anchor=\"middle\" x=\"3447.12\" y=\"-383.15\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasAngle_gamma</text>\n",
        "</g>\n",
-       "<!-- b20eb0d1&#45;5370&#45;41b0&#45;ae96&#45;0c73fbd46832 -->\n",
-       "<g id=\"node143\" class=\"node\">\n",
-       "<title>b20eb0d1&#45;5370&#45;41b0&#45;ae96&#45;0c73fbd46832</title>\n",
-       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"6322.64,-444.75 6277.07,-444.75 6265.34,-408.75 6310.92,-408.75 6322.64,-444.75\"/>\n",
-       "<text text-anchor=\"middle\" x=\"6293.99\" y=\"-424.02\" font-family=\"Times,serif\" font-size=\"8.00\">5.43</text>\n",
+       "<!-- sample_1_SimulationCellVector_2&#45;&gt;cmso.SimulationCellVector -->\n",
+       "<g id=\"edge96\" class=\"edge\">\n",
+       "<title>sample_1_SimulationCellVector_2&#45;&gt;cmso.SimulationCellVector</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M328.43,-188.98C372.23,-192.58 428.72,-196.86 478.99,-199.5 546.26,-203.04 1019.8,-200.53 1084.99,-217.5 1094.08,-219.87 1094.63,-224.98 1103.74,-227.25 1205.04,-252.52 2840.98,-232.87 3026.99,-245.45\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"3026.4,-248.91 3036.68,-246.32 3027.03,-241.94 3026.4,-248.91\"/>\n",
+       "<text text-anchor=\"middle\" x=\"1112.62\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">type</text>\n",
        "</g>\n",
-       "<!-- UnitCell_2LatticeParameter&#45;&gt;b20eb0d1&#45;5370&#45;41b0&#45;ae96&#45;0c73fbd46832 -->\n",
-       "<g id=\"edge126\" class=\"edge\">\n",
-       "<title>UnitCell_2LatticeParameter&#45;&gt;b20eb0d1&#45;5370&#45;41b0&#45;ae96&#45;0c73fbd46832</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M6293.99,-363.3C6293.99,-373.34 6293.99,-386.21 6293.99,-397.66\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"6290.49,-397.48 6293.99,-407.48 6297.49,-397.48 6290.49,-397.48\"/>\n",
-       "<text text-anchor=\"middle\" x=\"6330.37\" y=\"-383.15\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasLength_x</text>\n",
-       "</g>\n",
-       "<!-- 2ef4ba59&#45;0e4d&#45;4584&#45;89f0&#45;267d46f1f6f9 -->\n",
-       "<g id=\"node200\" class=\"node\">\n",
-       "<title>2ef4ba59&#45;0e4d&#45;4584&#45;89f0&#45;267d46f1f6f9</title>\n",
-       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"6458.64,-444.75 6413.07,-444.75 6401.34,-408.75 6446.92,-408.75 6458.64,-444.75\"/>\n",
-       "<text text-anchor=\"middle\" x=\"6429.99\" y=\"-424.02\" font-family=\"Times,serif\" font-size=\"8.00\">5.43</text>\n",
-       "</g>\n",
-       "<!-- UnitCell_2LatticeParameter&#45;&gt;2ef4ba59&#45;0e4d&#45;4584&#45;89f0&#45;267d46f1f6f9 -->\n",
-       "<g id=\"edge221\" class=\"edge\">\n",
-       "<title>UnitCell_2LatticeParameter&#45;&gt;2ef4ba59&#45;0e4d&#45;4584&#45;89f0&#45;267d46f1f6f9</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M6357.15,-355.65C6375.1,-360.82 6393.65,-368.78 6407.99,-381 6413.44,-385.64 6417.66,-391.96 6420.89,-398.38\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"6418,-399.52 6425.16,-407.32 6424.43,-396.76 6418,-399.52\"/>\n",
-       "<text text-anchor=\"middle\" x=\"6453.37\" y=\"-383.15\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasLength_y</text>\n",
+       "<!-- a89d757b&#45;d90a&#45;4552&#45;bf7b&#45;237d8a020921 -->\n",
+       "<g id=\"node65\" class=\"node\">\n",
+       "<title>a89d757b&#45;d90a&#45;4552&#45;bf7b&#45;237d8a020921</title>\n",
+       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"55.98,-281.25 11.46,-281.25 0,-245.25 44.53,-245.25 55.98,-281.25\"/>\n",
+       "<text text-anchor=\"middle\" x=\"27.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">0.0</text>\n",
        "</g>\n",
-       "<!-- cmso.LatticeParameter&#45;&gt;cmso.Length -->\n",
-       "<g id=\"edge241\" class=\"edge\">\n",
-       "<title>cmso.LatticeParameter&#45;&gt;cmso.Length</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M9602.74,-431.19C9629.62,-435.34 9661.19,-444.17 9683.99,-462.75 9689.63,-467.34 9693.94,-473.74 9697.18,-480.26\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"9694.33,-481.52 9701.43,-489.38 9700.78,-478.8 9694.33,-481.52\"/>\n",
-       "<text text-anchor=\"middle\" x=\"9715.12\" y=\"-464.9\" font-family=\"Times,serif\" font-size=\"8.00\">subClassOf</text>\n",
+       "<!-- sample_1_SimulationCellVector_2&#45;&gt;a89d757b&#45;d90a&#45;4552&#45;bf7b&#45;237d8a020921 -->\n",
+       "<g id=\"edge39\" class=\"edge\">\n",
+       "<title>sample_1_SimulationCellVector_2&#45;&gt;a89d757b&#45;d90a&#45;4552&#45;bf7b&#45;237d8a020921</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M179.61,-189.9C133.26,-195.63 78.81,-204.76 58.99,-217.5 52.15,-221.89 46.41,-228.39 41.8,-235.07\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"38.88,-233.13 36.65,-243.49 44.86,-236.79 38.88,-233.13\"/>\n",
+       "<text text-anchor=\"middle\" x=\"103.99\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasComponent_x</text>\n",
        "</g>\n",
-       "<!-- Atom_2_6&#45;&gt;Atom_2_6_Position -->\n",
-       "<g id=\"edge52\" class=\"edge\">\n",
-       "<title>Atom_2_6&#45;&gt;Atom_2_6_Position</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M2719.05,-102.02C2663.06,-105.02 2539.43,-113.96 2503.74,-135.75 2496.31,-140.29 2490.14,-147.29 2485.27,-154.42\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"2482.05,-151.98 2479.81,-162.34 2488.02,-155.64 2482.05,-151.98\"/>\n",
-       "<text text-anchor=\"middle\" x=\"2550.12\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasPositionVector</text>\n",
-       "</g>\n",
-       "<!-- Atom_2_6&#45;&gt;cmso.Atom -->\n",
-       "<g id=\"edge318\" class=\"edge\">\n",
-       "<title>Atom_2_6&#45;&gt;cmso.Atom</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M2774.95,-101.39C2977.54,-106 4212.72,-134.2 4221.99,-135.75 4236.13,-138.11 4238.59,-143.21 4252.74,-145.5 4541.96,-192.28 5280.12,-128.51 5570.99,-163.5 5581.99,-164.82 5593.73,-167.11 5604.55,-169.58\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"5603.46,-173.16 5614,-172.09 5605.1,-166.35 5603.46,-173.16\"/>\n",
-       "<text text-anchor=\"middle\" x=\"4261.62\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">type</text>\n",
-       "</g>\n",
-       "<!-- Atom_2_6_Element -->\n",
-       "<g id=\"node63\" class=\"node\">\n",
-       "<title>Atom_2_6_Element</title>\n",
-       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"2758.87,-199.5 2667.12,-199.5 2667.12,-163.5 2758.87,-163.5 2758.87,-199.5\"/>\n",
-       "<text text-anchor=\"middle\" x=\"2712.99\" y=\"-178.78\" font-family=\"Times,serif\" font-size=\"8.00\">Atom_2_6_Element</text>\n",
+       "<!-- c4eace50&#45;1c48&#45;48c1&#45;8a45&#45;809b3285821b -->\n",
+       "<g id=\"node113\" class=\"node\">\n",
+       "<title>c4eace50&#45;1c48&#45;48c1&#45;8a45&#45;809b3285821b</title>\n",
+       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"169.64,-281.25 124.07,-281.25 112.34,-245.25 157.92,-245.25 169.64,-281.25\"/>\n",
+       "<text text-anchor=\"middle\" x=\"140.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">2.87</text>\n",
        "</g>\n",
-       "<!-- Atom_2_6&#45;&gt;Atom_2_6_Element -->\n",
-       "<g id=\"edge43\" class=\"edge\">\n",
-       "<title>Atom_2_6&#45;&gt;Atom_2_6_Element</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M2739.61,-118.05C2735.25,-128.3 2729.62,-141.5 2724.66,-153.13\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"2721.06,-151.66 2720.36,-162.23 2727.5,-154.4 2721.06,-151.66\"/>\n",
-       "<text text-anchor=\"middle\" x=\"2767.49\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasElement</text>\n",
-       "</g>\n",
-       "<!-- 9b4139fe&#45;2b29&#45;4545&#45;b28f&#45;7988427a3326 -->\n",
-       "<g id=\"node196\" class=\"node\">\n",
-       "<title>9b4139fe&#45;2b29&#45;4545&#45;b28f&#45;7988427a3326</title>\n",
-       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"2631.98,-199.5 2587.46,-199.5 2576,-163.5 2620.53,-163.5 2631.98,-199.5\"/>\n",
-       "<text text-anchor=\"middle\" x=\"2603.99\" y=\"-178.78\" font-family=\"Times,serif\" font-size=\"8.00\">4</text>\n",
-       "</g>\n",
-       "<!-- Atom_2_6&#45;&gt;9b4139fe&#45;2b29&#45;4545&#45;b28f&#45;7988427a3326 -->\n",
-       "<g id=\"edge210\" class=\"edge\">\n",
-       "<title>Atom_2_6&#45;&gt;9b4139fe&#45;2b29&#45;4545&#45;b28f&#45;7988427a3326</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M2719.17,-103.53C2681.68,-107.92 2618.04,-117.85 2603.99,-135.75 2600.28,-140.49 2598.81,-146.46 2598.57,-152.48\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"2595.12,-152.36 2599.25,-162.12 2602.11,-151.92 2595.12,-152.36\"/>\n",
-       "<text text-anchor=\"middle\" x=\"2663.99\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasCoordinationNumber</text>\n",
+       "<!-- sample_1_SimulationCellVector_2&#45;&gt;c4eace50&#45;1c48&#45;48c1&#45;8a45&#45;809b3285821b -->\n",
+       "<g id=\"edge97\" class=\"edge\">\n",
+       "<title>sample_1_SimulationCellVector_2&#45;&gt;c4eace50&#45;1c48&#45;48c1&#45;8a45&#45;809b3285821b</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M186.34,-199.94C176.72,-204.52 167.55,-210.28 159.99,-217.5 155.07,-222.21 151.36,-228.4 148.59,-234.66\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"145.46,-233.02 145.29,-243.62 152.03,-235.44 145.46,-233.02\"/>\n",
+       "<text text-anchor=\"middle\" x=\"204.99\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasComponent_y</text>\n",
        "</g>\n",
-       "<!-- Atom_2_6_Element&#45;&gt;cmso.Element -->\n",
-       "<g id=\"edge155\" class=\"edge\">\n",
-       "<title>Atom_2_6_Element&#45;&gt;cmso.Element</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M2722.79,-199.83C2729.5,-209.85 2739.42,-221.57 2751.74,-227.25 2820.67,-259.02 5408.83,-234.72 5483.99,-245.25 5488.71,-245.91 5493.58,-246.84 5498.42,-247.92\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"5497.33,-251.5 5507.88,-250.49 5499,-244.7 5497.33,-251.5\"/>\n",
-       "<text text-anchor=\"middle\" x=\"2760.62\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">type</text>\n",
-       "</g>\n",
-       "<!-- ca942d5a&#45;d337&#45;40de&#45;a292&#45;d6a31f807375 -->\n",
-       "<g id=\"node199\" class=\"node\">\n",
-       "<title>ca942d5a&#45;d337&#45;40de&#45;a292&#45;d6a31f807375</title>\n",
-       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"2652.98,-281.25 2608.46,-281.25 2597,-245.25 2641.53,-245.25 2652.98,-281.25\"/>\n",
-       "<text text-anchor=\"middle\" x=\"2624.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">Si</text>\n",
-       "</g>\n",
-       "<!-- Atom_2_6_Element&#45;&gt;ca942d5a&#45;d337&#45;40de&#45;a292&#45;d6a31f807375 -->\n",
-       "<g id=\"edge216\" class=\"edge\">\n",
-       "<title>Atom_2_6_Element&#45;&gt;ca942d5a&#45;d337&#45;40de&#45;a292&#45;d6a31f807375</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M2666.97,-190.23C2651.26,-195.28 2635.28,-203.65 2625.74,-217.5 2622.33,-222.46 2620.91,-228.52 2620.6,-234.55\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"2617.12,-234.31 2621.03,-244.16 2624.12,-234.02 2617.12,-234.31\"/>\n",
-       "<text text-anchor=\"middle\" x=\"2658.62\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasSymbol</text>\n",
-       "</g>\n",
-       "<!-- SimulationCell_3Vector03&#45;&gt;cmso.SimulationCellVector -->\n",
-       "<g id=\"edge284\" class=\"edge\">\n",
-       "<title>SimulationCell_3Vector03&#45;&gt;cmso.SimulationCellVector</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M9234.14,-196.78C9239.81,-197.83 9245.5,-198.77 9250.99,-199.5 9338.75,-211.21 9565.28,-188.69 9648.99,-217.5 9656.21,-219.98 9669.45,-229.09 9681.94,-238.45\"/>\n",
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-       "<text text-anchor=\"middle\" x=\"9673.62\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">type</text>\n",
-       "</g>\n",
-       "<!-- 01f1147e&#45;296e&#45;4738&#45;9cff&#45;20009b1983b7 -->\n",
-       "<g id=\"node65\" class=\"node\">\n",
-       "<title>01f1147e&#45;296e&#45;4738&#45;9cff&#45;20009b1983b7</title>\n",
-       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"9053.98,-281.25 9009.46,-281.25 8998,-245.25 9042.53,-245.25 9053.98,-281.25\"/>\n",
-       "<text text-anchor=\"middle\" x=\"9025.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">0.0</text>\n",
+       "<!-- f323af76&#45;b88f&#45;42b8&#45;aa4e&#45;ad8aa1b7dca4 -->\n",
+       "<g id=\"node127\" class=\"node\">\n",
+       "<title>f323af76&#45;b88f&#45;42b8&#45;aa4e&#45;ad8aa1b7dca4</title>\n",
+       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"281.98,-281.25 237.46,-281.25 226,-245.25 270.53,-245.25 281.98,-281.25\"/>\n",
+       "<text text-anchor=\"middle\" x=\"253.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">0.0</text>\n",
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-       "<!-- SimulationCell_3Vector03&#45;&gt;01f1147e&#45;296e&#45;4738&#45;9cff&#45;20009b1983b7 -->\n",
-       "<g id=\"edge45\" class=\"edge\">\n",
-       "<title>SimulationCell_3Vector03&#45;&gt;01f1147e&#45;296e&#45;4738&#45;9cff&#45;20009b1983b7</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M9115.86,-197.68C9081.83,-206.52 9045.48,-216.18 9043.99,-217.5 9038.81,-222.09 9035.1,-228.38 9032.44,-234.8\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"9028.96,-233.17 9029.09,-243.76 9035.6,-235.4 9028.96,-233.17\"/>\n",
-       "<text text-anchor=\"middle\" x=\"9088.99\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasComponent_x</text>\n",
+       "<!-- sample_1_SimulationCellVector_2&#45;&gt;f323af76&#45;b88f&#45;42b8&#45;aa4e&#45;ad8aa1b7dca4 -->\n",
+       "<g id=\"edge123\" class=\"edge\">\n",
+       "<title>sample_1_SimulationCellVector_2&#45;&gt;f323af76&#45;b88f&#45;42b8&#45;aa4e&#45;ad8aa1b7dca4</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M253.99,-199.8C253.99,-209.73 253.99,-222.44 253.99,-233.8\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"250.49,-233.47 253.99,-243.47 257.49,-233.47 250.49,-233.47\"/>\n",
+       "<text text-anchor=\"middle\" x=\"298.99\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasComponent_z</text>\n",
        "</g>\n",
-       "<!-- bdba9aed&#45;bf57&#45;4690&#45;9db8&#45;b4a7e88b174f -->\n",
-       "<g id=\"node129\" class=\"node\">\n",
-       "<title>bdba9aed&#45;bf57&#45;4690&#45;9db8&#45;b4a7e88b174f</title>\n",
-       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"9164.98,-281.25 9120.46,-281.25 9109,-245.25 9153.53,-245.25 9164.98,-281.25\"/>\n",
-       "<text text-anchor=\"middle\" x=\"9136.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">0.0</text>\n",
+       "<!-- sample_2_UnitCell&#45;&gt;cmso.UnitCell -->\n",
+       "<g id=\"edge134\" class=\"edge\">\n",
+       "<title>sample_2_UnitCell&#45;&gt;cmso.UnitCell</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M6054.38,-279.44C6051.56,-280.13 6048.75,-280.74 6045.99,-281.25 5902.75,-307.71 5864.18,-291.16 5718.74,-299.25 5434.69,-315.06 5093.56,-334.38 4970.82,-341.34\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"4970.93,-337.83 4961.15,-341.89 4971.33,-344.82 4970.93,-337.83\"/>\n",
+       "<text text-anchor=\"middle\" x=\"5726.62\" y=\"-301.4\" font-family=\"Times,serif\" font-size=\"8.00\">type</text>\n",
        "</g>\n",
-       "<!-- SimulationCell_3Vector03&#45;&gt;bdba9aed&#45;bf57&#45;4690&#45;9db8&#45;b4a7e88b174f -->\n",
-       "<g id=\"edge106\" class=\"edge\">\n",
-       "<title>SimulationCell_3Vector03&#45;&gt;bdba9aed&#45;bf57&#45;4690&#45;9db8&#45;b4a7e88b174f</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M9152.87,-199.77C9147.77,-204.9 9142.98,-210.93 9139.99,-217.5 9137.64,-222.68 9136.38,-228.56 9135.79,-234.31\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"9132.27,-233.85 9135.36,-243.98 9139.26,-234.13 9132.27,-233.85\"/>\n",
-       "<text text-anchor=\"middle\" x=\"9184.99\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasComponent_y</text>\n",
-       "</g>\n",
-       "<!-- bf3990d3&#45;b5d0&#45;466b&#45;976f&#45;442490f1b50c -->\n",
-       "<g id=\"node233\" class=\"node\">\n",
-       "<title>bf3990d3&#45;b5d0&#45;466b&#45;976f&#45;442490f1b50c</title>\n",
-       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"8941.64,-281.25 8896.07,-281.25 8884.34,-245.25 8929.92,-245.25 8941.64,-281.25\"/>\n",
-       "<text text-anchor=\"middle\" x=\"8912.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">3.57</text>\n",
-       "</g>\n",
-       "<!-- SimulationCell_3Vector03&#45;&gt;bf3990d3&#45;b5d0&#45;466b&#45;976f&#45;442490f1b50c -->\n",
-       "<g id=\"edge272\" class=\"edge\">\n",
-       "<title>SimulationCell_3Vector03&#45;&gt;bf3990d3&#45;b5d0&#45;466b&#45;976f&#45;442490f1b50c</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M9115.76,-197.81C9112.8,-198.42 9109.87,-198.99 9106.99,-199.5 9070.9,-205.96 8974.35,-198.5 8942.99,-217.5 8935.84,-221.83 8930.03,-228.59 8925.49,-235.56\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"8922.03,-233.56 8920.08,-243.98 8928.1,-237.05 8922.03,-233.56\"/>\n",
-       "<text text-anchor=\"middle\" x=\"8987.99\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasComponent_z</text>\n",
-       "</g>\n",
-       "<!-- Atom_2_5&#45;&gt;cmso.Atom -->\n",
-       "<g id=\"edge85\" class=\"edge\">\n",
-       "<title>Atom_2_5&#45;&gt;cmso.Atom</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M3574.99,-102.76C3626.17,-106.35 3738.32,-113.87 3832.99,-117.75 3921.61,-121.38 4545.08,-113.72 4630.99,-135.75 4640.09,-138.08 4640.64,-143.18 4649.74,-145.5 4748.95,-170.78 5469.38,-150.97 5570.99,-163.5 5581.98,-164.85 5593.73,-167.15 5604.55,-169.62\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"5603.46,-173.2 5614,-172.13 5605.09,-166.4 5603.46,-173.2\"/>\n",
-       "<text text-anchor=\"middle\" x=\"4658.62\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">type</text>\n",
+       "<!-- sample_2_UnitCell&#45;&gt;sample_2_LatticeParameter -->\n",
+       "<g id=\"edge115\" class=\"edge\">\n",
+       "<title>sample_2_UnitCell&#45;&gt;sample_2_LatticeParameter</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M6054.31,-279.12C6051.51,-279.88 6048.72,-280.6 6045.99,-281.25 5995.76,-293.17 5982.09,-290.33 5931.24,-299.25 5908.83,-303.18 5903.45,-305.39 5880.99,-309 5813.44,-319.86 5736.08,-329.48 5680.83,-335.88\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"5680.77,-332.36 5671.23,-336.98 5681.57,-339.32 5680.77,-332.36\"/>\n",
+       "<text text-anchor=\"middle\" x=\"5980.87\" y=\"-301.4\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasLatticeParamter</text>\n",
        "</g>\n",
-       "<!-- Atom_2_5_Position -->\n",
-       "<g id=\"node68\" class=\"node\">\n",
-       "<title>Atom_2_5_Position</title>\n",
-       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"3023.74,-199.5 2934.24,-199.5 2934.24,-163.5 3023.74,-163.5 3023.74,-199.5\"/>\n",
-       "<text text-anchor=\"middle\" x=\"2978.99\" y=\"-178.78\" font-family=\"Times,serif\" font-size=\"8.00\">Atom_2_5_Position</text>\n",
+       "<!-- sample_2_UnitCell&#45;&gt;wiki.Q3006714 -->\n",
+       "<g id=\"edge89\" class=\"edge\">\n",
+       "<title>sample_2_UnitCell&#45;&gt;wiki.Q3006714</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M6054.37,-279.4C6051.55,-280.1 6048.74,-280.72 6045.99,-281.25 5931.69,-303.18 5899.96,-282.82 5784.74,-299.25 5764.59,-302.12 5760.12,-305.96 5739.99,-309 5731.22,-310.33 5488.36,-330.79 5381.1,-339.8\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"5381.11,-336.28 5371.44,-340.61 5381.7,-343.26 5381.11,-336.28\"/>\n",
+       "<text text-anchor=\"middle\" x=\"5830.12\" y=\"-301.4\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasBravaisLattice</text>\n",
        "</g>\n",
-       "<!-- Atom_2_5&#45;&gt;Atom_2_5_Position -->\n",
-       "<g id=\"edge47\" class=\"edge\">\n",
-       "<title>Atom_2_5&#45;&gt;Atom_2_5_Position</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M3519.21,-104.65C3430.66,-117.08 3153.88,-155.95 3034.6,-172.69\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"3034.31,-169.34 3024.9,-174.2 3035.29,-176.27 3034.31,-169.34\"/>\n",
-       "<text text-anchor=\"middle\" x=\"3344.12\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasPositionVector</text>\n",
+       "<!-- sample_2_LatticeAngle -->\n",
+       "<g id=\"node117\" class=\"node\">\n",
+       "<title>sample_2_LatticeAngle</title>\n",
+       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"6039.37,-363 5932.62,-363 5932.62,-327 6039.37,-327 6039.37,-363\"/>\n",
+       "<text text-anchor=\"middle\" x=\"5985.99\" y=\"-342.27\" font-family=\"Times,serif\" font-size=\"8.00\">sample_2_LatticeAngle</text>\n",
        "</g>\n",
-       "<!-- Atom_2_5_Element -->\n",
-       "<g id=\"node146\" class=\"node\">\n",
-       "<title>Atom_2_5_Element</title>\n",
-       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"3567.87,-199.5 3476.12,-199.5 3476.12,-163.5 3567.87,-163.5 3567.87,-199.5\"/>\n",
-       "<text text-anchor=\"middle\" x=\"3521.99\" y=\"-178.78\" font-family=\"Times,serif\" font-size=\"8.00\">Atom_2_5_Element</text>\n",
-       "</g>\n",
-       "<!-- Atom_2_5&#45;&gt;Atom_2_5_Element -->\n",
-       "<g id=\"edge236\" class=\"edge\">\n",
-       "<title>Atom_2_5&#45;&gt;Atom_2_5_Element</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M3541.57,-118.05C3538.39,-128.19 3534.3,-141.23 3530.69,-152.77\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"3527.06,-151.64 3527.41,-162.23 3533.74,-153.73 3527.06,-151.64\"/>\n",
-       "<text text-anchor=\"middle\" x=\"3570.49\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasElement</text>\n",
-       "</g>\n",
-       "<!-- 081ebee4&#45;67f2&#45;44a3&#45;b720&#45;7b6d88a132b3 -->\n",
-       "<g id=\"node246\" class=\"node\">\n",
-       "<title>081ebee4&#45;67f2&#45;44a3&#45;b720&#45;7b6d88a132b3</title>\n",
-       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"3431.98,-199.5 3387.46,-199.5 3376,-163.5 3420.53,-163.5 3431.98,-199.5\"/>\n",
-       "<text text-anchor=\"middle\" x=\"3403.99\" y=\"-178.78\" font-family=\"Times,serif\" font-size=\"8.00\">4</text>\n",
-       "</g>\n",
-       "<!-- Atom_2_5&#45;&gt;081ebee4&#45;67f2&#45;44a3&#45;b720&#45;7b6d88a132b3 -->\n",
-       "<g id=\"edge308\" class=\"edge\">\n",
-       "<title>Atom_2_5&#45;&gt;081ebee4&#45;67f2&#45;44a3&#45;b720&#45;7b6d88a132b3</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M3519.12,-104.18C3483.38,-109.18 3424.31,-119.65 3409.99,-135.75 3405.89,-140.36 3403.74,-146.37 3402.74,-152.48\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"3399.19,-152.09 3401.98,-162.31 3406.17,-152.58 3399.19,-152.09\"/>\n",
-       "<text text-anchor=\"middle\" x=\"3469.99\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasCoordinationNumber</text>\n",
-       "</g>\n",
-       "<!-- Atom_2_5_Position&#45;&gt;cmso.PositionVector -->\n",
-       "<g id=\"edge158\" class=\"edge\">\n",
-       "<title>Atom_2_5_Position&#45;&gt;cmso.PositionVector</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M3024.17,-191.46C3087.73,-203.98 3197.9,-225.42 3216.74,-227.25 3488.5,-253.61 5401.9,-222.57 5673.99,-245.25 5689.54,-246.55 5706.24,-248.81 5721.7,-251.27\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"5720.73,-254.83 5731.16,-253 5721.87,-247.92 5720.73,-254.83\"/>\n",
-       "<text text-anchor=\"middle\" x=\"3225.62\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">type</text>\n",
+       "<!-- sample_2_UnitCell&#45;&gt;sample_2_LatticeAngle -->\n",
+       "<g id=\"edge174\" class=\"edge\">\n",
+       "<title>sample_2_UnitCell&#45;&gt;sample_2_LatticeAngle</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M6074.47,-281.55C6058.48,-292.84 6037.39,-307.73 6019.81,-320.13\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"6017.85,-317.23 6011.7,-325.86 6021.89,-322.95 6017.85,-317.23\"/>\n",
+       "<text text-anchor=\"middle\" x=\"6078.62\" y=\"-301.4\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasAngle</text>\n",
        "</g>\n",
-       "<!-- 3c8efbe3&#45;ed01&#45;48cd&#45;838c&#45;bcd38e481a7a -->\n",
+       "<!-- sample_1_Species -->\n",
+       "<g id=\"node56\" class=\"node\">\n",
+       "<title>sample_1_Species</title>\n",
+       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"2555.24,-117.75 2468.74,-117.75 2468.74,-81.75 2555.24,-81.75 2555.24,-117.75\"/>\n",
+       "<text text-anchor=\"middle\" x=\"2511.99\" y=\"-97.03\" font-family=\"Times,serif\" font-size=\"8.00\">sample_1_Species</text>\n",
+       "</g>\n",
+       "<!-- 901188ff&#45;65fd&#45;4b83&#45;a9e6&#45;dc7a25423bb6 -->\n",
+       "<g id=\"node57\" class=\"node\">\n",
+       "<title>901188ff&#45;65fd&#45;4b83&#45;a9e6&#45;dc7a25423bb6</title>\n",
+       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"2557.68,-199.5 2290.93,-199.5 2222.31,-163.5 2489.06,-163.5 2557.68,-199.5\"/>\n",
+       "<text text-anchor=\"middle\" x=\"2389.99\" y=\"-178.78\" font-family=\"Times,serif\" font-size=\"8.00\">Ce0Debfc&#45;1D4B&#45;4764&#45;8B94&#45;77B47F48D422</text>\n",
+       "</g>\n",
+       "<!-- sample_1_Species&#45;&gt;901188ff&#45;65fd&#45;4b83&#45;a9e6&#45;dc7a25423bb6 -->\n",
+       "<g id=\"edge32\" class=\"edge\">\n",
+       "<title>sample_1_Species&#45;&gt;901188ff&#45;65fd&#45;4b83&#45;a9e6&#45;dc7a25423bb6</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M2485.52,-118.05C2468.09,-129.45 2445.06,-144.5 2425.98,-156.97\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"2424.13,-154 2417.68,-162.4 2427.97,-159.86 2424.13,-154\"/>\n",
+       "<text text-anchor=\"middle\" x=\"2495.37\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasIdentifier</text>\n",
+       "</g>\n",
+       "<!-- sample_1_Species&#45;&gt;cmso.AtomAttribute -->\n",
+       "<g id=\"edge75\" class=\"edge\">\n",
+       "<title>sample_1_Species&#45;&gt;cmso.AtomAttribute</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M2555.73,-114.95C2560.5,-116.09 2565.32,-117.06 2569.99,-117.75 2693.55,-135.99 4695.73,-110.27 4817.99,-135.75 4839.66,-140.27 4862.41,-149.36 4881.17,-158.18\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"4879.55,-161.28 4890.07,-162.5 4882.61,-154.98 4879.55,-161.28\"/>\n",
+       "<text text-anchor=\"middle\" x=\"4859.62\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">type</text>\n",
+       "</g>\n",
+       "<!-- ba33457e&#45;0db5&#45;41cf&#45;b639&#45;3ea070d6ebef -->\n",
+       "<g id=\"node90\" class=\"node\">\n",
+       "<title>ba33457e&#45;0db5&#45;41cf&#45;b639&#45;3ea070d6ebef</title>\n",
+       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"2652.75,-199.5 2591.09,-199.5 2575.23,-163.5 2636.89,-163.5 2652.75,-199.5\"/>\n",
+       "<text text-anchor=\"middle\" x=\"2613.99\" y=\"-178.78\" font-family=\"Times,serif\" font-size=\"8.00\">Species</text>\n",
+       "</g>\n",
+       "<!-- sample_1_Species&#45;&gt;ba33457e&#45;0db5&#45;41cf&#45;b639&#45;3ea070d6ebef -->\n",
+       "<g id=\"edge63\" class=\"edge\">\n",
+       "<title>sample_1_Species&#45;&gt;ba33457e&#45;0db5&#45;41cf&#45;b639&#45;3ea070d6ebef</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M2534.12,-118.05C2548.43,-129.24 2567.24,-143.95 2583.02,-156.29\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"2580.68,-158.89 2590.71,-162.3 2584.99,-153.38 2580.68,-158.89\"/>\n",
+       "<text text-anchor=\"middle\" x=\"2599.62\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasName</text>\n",
+       "</g>\n",
+       "<!-- 33084446&#45;04ea&#45;4570&#45;9471&#45;da8822642c6b -->\n",
        "<g id=\"node119\" class=\"node\">\n",
-       "<title>3c8efbe3&#45;ed01&#45;48cd&#45;838c&#45;bcd38e481a7a</title>\n",
-       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"2786.07,-281.25 2733.45,-281.25 2719.92,-245.25 2772.53,-245.25 2786.07,-281.25\"/>\n",
-       "<text text-anchor=\"middle\" x=\"2752.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">2.715</text>\n",
+       "<title>33084446&#45;04ea&#45;4570&#45;9471&#45;da8822642c6b</title>\n",
+       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"2204.48,-199.5 2038.26,-199.5 1995.5,-163.5 2161.72,-163.5 2204.48,-199.5\"/>\n",
+       "<text text-anchor=\"middle\" x=\"2099.99\" y=\"-178.78\" font-family=\"Times,serif\" font-size=\"8.00\">Rdf_Structure_Store/1.Json</text>\n",
        "</g>\n",
-       "<!-- Atom_2_5_Position&#45;&gt;3c8efbe3&#45;ed01&#45;48cd&#45;838c&#45;bcd38e481a7a -->\n",
-       "<g id=\"edge96\" class=\"edge\">\n",
-       "<title>Atom_2_5_Position&#45;&gt;3c8efbe3&#45;ed01&#45;48cd&#45;838c&#45;bcd38e481a7a</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M2933.88,-186.57C2884.23,-191.75 2808.22,-201.92 2783.99,-217.5 2777,-222 2771.15,-228.69 2766.48,-235.54\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"2763.07,-233.42 2760.86,-243.78 2769.05,-237.06 2763.07,-233.42\"/>\n",
-       "<text text-anchor=\"middle\" x=\"2828.99\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasComponent_y</text>\n",
-       "</g>\n",
-       "<!-- 662c67a9&#45;8526&#45;4d61&#45;8f3d&#45;9abaa4b1e261 -->\n",
-       "<g id=\"node221\" class=\"node\">\n",
-       "<title>662c67a9&#45;8526&#45;4d61&#45;8f3d&#45;9abaa4b1e261</title>\n",
-       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"2893.98,-281.25 2849.46,-281.25 2838,-245.25 2882.53,-245.25 2893.98,-281.25\"/>\n",
-       "<text text-anchor=\"middle\" x=\"2865.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">0.0</text>\n",
-       "</g>\n",
-       "<!-- Atom_2_5_Position&#45;&gt;662c67a9&#45;8526&#45;4d61&#45;8f3d&#45;9abaa4b1e261 -->\n",
-       "<g id=\"edge257\" class=\"edge\">\n",
-       "<title>Atom_2_5_Position&#45;&gt;662c67a9&#45;8526&#45;4d61&#45;8f3d&#45;9abaa4b1e261</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M2934.22,-191.18C2917.09,-196.4 2898.46,-204.62 2884.99,-217.5 2879.95,-222.32 2876.18,-228.7 2873.39,-235.12\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"2869.91,-233.44 2869.77,-244.04 2876.49,-235.84 2869.91,-233.44\"/>\n",
-       "<text text-anchor=\"middle\" x=\"2929.99\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasComponent_x</text>\n",
-       "</g>\n",
-       "<!-- 619f73fd&#45;676f&#45;452f&#45;bdbe&#45;937446f0507f -->\n",
-       "<g id=\"node230\" class=\"node\">\n",
-       "<title>619f73fd&#45;676f&#45;452f&#45;bdbe&#45;937446f0507f</title>\n",
-       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"3012.07,-281.25 2959.45,-281.25 2945.92,-245.25 2998.53,-245.25 3012.07,-281.25\"/>\n",
-       "<text text-anchor=\"middle\" x=\"2978.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">2.715</text>\n",
-       "</g>\n",
-       "<!-- Atom_2_5_Position&#45;&gt;619f73fd&#45;676f&#45;452f&#45;bdbe&#45;937446f0507f -->\n",
-       "<g id=\"edge268\" class=\"edge\">\n",
-       "<title>Atom_2_5_Position&#45;&gt;619f73fd&#45;676f&#45;452f&#45;bdbe&#45;937446f0507f</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M2978.99,-199.8C2978.99,-209.84 2978.99,-222.71 2978.99,-234.16\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"2975.49,-233.98 2978.99,-243.98 2982.49,-233.98 2975.49,-233.98\"/>\n",
-       "<text text-anchor=\"middle\" x=\"3023.99\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasComponent_z</text>\n",
-       "</g>\n",
-       "<!-- cmso.Length&#45;&gt;ANGSTROM -->\n",
-       "<g id=\"edge279\" class=\"edge\">\n",
-       "<title>cmso.Length&#45;&gt;ANGSTROM</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M9692.97,-526.8C9684.95,-537.46 9674.52,-551.33 9665.52,-563.29\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"9662.2,-560.88 9658.99,-570.98 9667.79,-565.09 9662.2,-560.88\"/>\n",
-       "<text text-anchor=\"middle\" x=\"9706.62\" y=\"-546.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasUnit</text>\n",
-       "</g>\n",
-       "<!-- Atom_2_7_Element -->\n",
-       "<g id=\"node72\" class=\"node\">\n",
-       "<title>Atom_2_7_Element</title>\n",
-       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"5155.87,-199.5 5064.12,-199.5 5064.12,-163.5 5155.87,-163.5 5155.87,-199.5\"/>\n",
-       "<text text-anchor=\"middle\" x=\"5109.99\" y=\"-178.78\" font-family=\"Times,serif\" font-size=\"8.00\">Atom_2_7_Element</text>\n",
+       "<!-- sample_1_Species&#45;&gt;33084446&#45;04ea&#45;4570&#45;9471&#45;da8822642c6b -->\n",
+       "<g id=\"edge106\" class=\"edge\">\n",
+       "<title>sample_1_Species&#45;&gt;33084446&#45;04ea&#45;4570&#45;9471&#45;da8822642c6b</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M2468.29,-109.21C2399.32,-122.56 2264.24,-148.71 2178.24,-165.35\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"2177.6,-161.91 2168.45,-167.25 2178.93,-168.78 2177.6,-161.91\"/>\n",
+       "<text text-anchor=\"middle\" x=\"2357.99\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasPath</text>\n",
        "</g>\n",
-       "<!-- Atom_2_7_Element&#45;&gt;cmso.Element -->\n",
-       "<g id=\"edge51\" class=\"edge\">\n",
-       "<title>Atom_2_7_Element&#45;&gt;cmso.Element</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M5156.35,-189.57C5177.82,-192.76 5203.69,-196.48 5226.99,-199.5 5297.08,-208.58 5315.63,-203.94 5384.99,-217.5 5396.27,-219.7 5455.51,-236.51 5498.63,-248.88\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"5497.35,-252.44 5507.93,-251.83 5499.28,-245.71 5497.35,-252.44\"/>\n",
-       "<text text-anchor=\"middle\" x=\"5428.62\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">type</text>\n",
-       "</g>\n",
-       "<!-- f22ff467&#45;a811&#45;4886&#45;8eb8&#45;7d67fb9568aa -->\n",
-       "<g id=\"node179\" class=\"node\">\n",
-       "<title>f22ff467&#45;a811&#45;4886&#45;8eb8&#45;7d67fb9568aa</title>\n",
-       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"5105.98,-281.25 5061.46,-281.25 5050,-245.25 5094.53,-245.25 5105.98,-281.25\"/>\n",
-       "<text text-anchor=\"middle\" x=\"5077.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">Si</text>\n",
-       "</g>\n",
-       "<!-- Atom_2_7_Element&#45;&gt;f22ff467&#45;a811&#45;4886&#45;8eb8&#45;7d67fb9568aa -->\n",
-       "<g id=\"edge186\" class=\"edge\">\n",
-       "<title>Atom_2_7_Element&#45;&gt;f22ff467&#45;a811&#45;4886&#45;8eb8&#45;7d67fb9568aa</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M5090.33,-199.67C5085.66,-204.88 5081.29,-210.98 5078.74,-217.5 5076.67,-222.79 5075.72,-228.71 5075.43,-234.47\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"5071.93,-234.17 5075.53,-244.13 5078.93,-234.1 5071.93,-234.17\"/>\n",
-       "<text text-anchor=\"middle\" x=\"5111.62\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasSymbol</text>\n",
+       "<!-- sample_3_Material&#45;&gt;sample_3_CrystalStructure -->\n",
+       "<g id=\"edge36\" class=\"edge\">\n",
+       "<title>sample_3_Material&#45;&gt;sample_3_CrystalStructure</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M4454.03,-115.37C4450.98,-116.22 4447.95,-117.02 4444.99,-117.75 4337.94,-144.21 4306.35,-140.35 4194.59,-163.25\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"4194.08,-159.78 4185,-165.24 4195.5,-166.63 4194.08,-159.78\"/>\n",
+       "<text text-anchor=\"middle\" x=\"4396.12\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasStructure</text>\n",
+       "</g>\n",
+       "<!-- sample_3_Material&#45;&gt;cmso.CrystallineMaterial -->\n",
+       "<g id=\"edge196\" class=\"edge\">\n",
+       "<title>sample_3_Material&#45;&gt;cmso.CrystallineMaterial</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M4453.79,-115.69C4450.83,-116.45 4447.88,-117.15 4444.99,-117.75 4371.81,-133.05 4352.01,-127.19 4277.74,-135.75 4180.85,-146.92 4153.24,-144.85 4054.24,-163.21\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"4053.8,-159.73 4044.62,-165.02 4055.09,-166.61 4053.8,-159.73\"/>\n",
+       "<text text-anchor=\"middle\" x=\"4286.62\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">type</text>\n",
+       "</g>\n",
+       "<!-- cmso.ChemicalSpecies -->\n",
+       "<g id=\"node62\" class=\"node\">\n",
+       "<title>cmso.ChemicalSpecies</title>\n",
+       "<polygon fill=\"#ffffcc\" stroke=\"#ffffcc\" points=\"5953.62,-199.5 5848.37,-199.5 5848.37,-163.5 5953.62,-163.5 5953.62,-199.5\"/>\n",
+       "<text text-anchor=\"middle\" x=\"5900.99\" y=\"-178.78\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.ChemicalSpecies</text>\n",
+       "</g>\n",
+       "<!-- sample_2_ChemicalSpecies&#45;&gt;cmso.ChemicalSpecies -->\n",
+       "<g id=\"edge37\" class=\"edge\">\n",
+       "<title>sample_2_ChemicalSpecies&#45;&gt;cmso.ChemicalSpecies</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M6089.23,-116.11C6086.45,-116.69 6083.7,-117.24 6080.99,-117.75 6023.14,-128.71 6003.03,-110.7 5949.74,-135.75 5939.82,-140.42 5930.51,-147.83 5922.75,-155.28\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"5920.5,-152.58 5916.03,-162.18 5925.51,-157.46 5920.5,-152.58\"/>\n",
+       "<text text-anchor=\"middle\" x=\"5957.62\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">type</text>\n",
+       "</g>\n",
+       "<!-- CHEBI.27573 -->\n",
+       "<g id=\"node71\" class=\"node\">\n",
+       "<title>CHEBI.27573</title>\n",
+       "<polygon fill=\"#ffffcc\" stroke=\"#ffffcc\" points=\"6184.12,-199.5 6111.87,-199.5 6111.87,-163.5 6184.12,-163.5 6184.12,-199.5\"/>\n",
+       "<text text-anchor=\"middle\" x=\"6147.99\" y=\"-178.78\" font-family=\"Times,serif\" font-size=\"8.00\">CHEBI.27573</text>\n",
+       "</g>\n",
+       "<!-- sample_2_ChemicalSpecies&#45;&gt;CHEBI.27573 -->\n",
+       "<g id=\"edge121\" class=\"edge\">\n",
+       "<title>sample_2_ChemicalSpecies&#45;&gt;CHEBI.27573</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M6150.34,-118.05C6149.97,-127.98 6149.49,-140.69 6149.06,-152.05\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"6145.58,-151.59 6148.7,-161.72 6152.57,-151.86 6145.58,-151.59\"/>\n",
+       "<text text-anchor=\"middle\" x=\"6183.49\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasElement</text>\n",
+       "</g>\n",
+       "<!-- 11491fd1&#45;f803&#45;4057&#45;b31b&#45;d1fa87c7abec -->\n",
+       "<g id=\"node64\" class=\"node\">\n",
+       "<title>11491fd1&#45;f803&#45;4057&#45;b31b&#45;d1fa87c7abec</title>\n",
+       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"6869.48,-199.5 6703.26,-199.5 6660.5,-163.5 6826.72,-163.5 6869.48,-199.5\"/>\n",
+       "<text text-anchor=\"middle\" x=\"6764.99\" y=\"-178.78\" font-family=\"Times,serif\" font-size=\"8.00\">Rdf_Structure_Store/2.Json</text>\n",
+       "</g>\n",
+       "<!-- sample_2_Position&#45;&gt;11491fd1&#45;f803&#45;4057&#45;b31b&#45;d1fa87c7abec -->\n",
+       "<g id=\"edge38\" class=\"edge\">\n",
+       "<title>sample_2_Position&#45;&gt;11491fd1&#45;f803&#45;4057&#45;b31b&#45;d1fa87c7abec</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M6531.84,-112.59C6556.34,-119.27 6587.4,-127.83 6614.99,-135.75 6641.73,-143.42 6671.08,-152.12 6696.66,-159.79\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"6695.35,-163.04 6705.93,-162.57 6697.36,-156.34 6695.35,-163.04\"/>\n",
+       "<text text-anchor=\"middle\" x=\"6673.99\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasPath</text>\n",
+       "</g>\n",
+       "<!-- sample_2_Position&#45;&gt;cmso.AtomAttribute -->\n",
+       "<g id=\"edge94\" class=\"edge\">\n",
+       "<title>sample_2_Position&#45;&gt;cmso.AtomAttribute</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M6444.24,-103.87C6391.54,-107.56 6300.32,-113.7 6221.99,-117.75 6120.66,-122.99 5863.81,-109.72 5765.74,-135.75 5756.66,-138.16 5756.09,-143.16 5746.99,-145.5 5585.25,-187.06 5166.06,-138.95 4982.22,-163.56\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"4981.87,-160.08 4972.48,-164.99 4982.89,-167 4981.87,-160.08\"/>\n",
+       "<text text-anchor=\"middle\" x=\"5773.62\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">type</text>\n",
+       "</g>\n",
+       "<!-- 30ddf791&#45;0967&#45;4c86&#45;9baf&#45;6ec1ac1015ea -->\n",
+       "<g id=\"node152\" class=\"node\">\n",
+       "<title>30ddf791&#45;0967&#45;4c86&#45;9baf&#45;6ec1ac1015ea</title>\n",
+       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"6545.47,-199.5 6272.69,-199.5 6202.52,-163.5 6475.3,-163.5 6545.47,-199.5\"/>\n",
+       "<text text-anchor=\"middle\" x=\"6373.99\" y=\"-178.78\" font-family=\"Times,serif\" font-size=\"8.00\">7A6D56Bb&#45;C918&#45;43A6&#45;8C18&#45;4F0A0Bbb76B4</text>\n",
+       "</g>\n",
+       "<!-- sample_2_Position&#45;&gt;30ddf791&#45;0967&#45;4c86&#45;9baf&#45;6ec1ac1015ea -->\n",
+       "<g id=\"edge167\" class=\"edge\">\n",
+       "<title>sample_2_Position&#45;&gt;30ddf791&#45;0967&#45;4c86&#45;9baf&#45;6ec1ac1015ea</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M6463.26,-118.05C6447.12,-129.34 6425.85,-144.23 6408.11,-156.63\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"6406.11,-153.76 6399.92,-162.36 6410.12,-159.5 6406.11,-153.76\"/>\n",
+       "<text text-anchor=\"middle\" x=\"6473.37\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasIdentifier</text>\n",
+       "</g>\n",
+       "<!-- ed5bd5f9&#45;486a&#45;4e9e&#45;9f38&#45;b0e9859812e2 -->\n",
+       "<g id=\"node163\" class=\"node\">\n",
+       "<title>ed5bd5f9&#45;486a&#45;4e9e&#45;9f38&#45;b0e9859812e2</title>\n",
+       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"6642.39,-199.5 6579.72,-199.5 6563.6,-163.5 6626.27,-163.5 6642.39,-199.5\"/>\n",
+       "<text text-anchor=\"middle\" x=\"6602.99\" y=\"-178.78\" font-family=\"Times,serif\" font-size=\"8.00\">Position</text>\n",
+       "</g>\n",
+       "<!-- sample_2_Position&#45;&gt;ed5bd5f9&#45;486a&#45;4e9e&#45;9f38&#45;b0e9859812e2 -->\n",
+       "<g id=\"edge185\" class=\"edge\">\n",
+       "<title>sample_2_Position&#45;&gt;ed5bd5f9&#45;486a&#45;4e9e&#45;9f38&#45;b0e9859812e2</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M6512.95,-118.05C6529.37,-129.45 6551.08,-144.5 6569.07,-156.97\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"6566.63,-159.54 6576.84,-162.37 6570.62,-153.79 6566.63,-159.54\"/>\n",
+       "<text text-anchor=\"middle\" x=\"6581.62\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasName</text>\n",
+       "</g>\n",
+       "<!-- sample_1_SimulationCellLength&#45;&gt;cmso.SimulationCellLength -->\n",
+       "<g id=\"edge43\" class=\"edge\">\n",
+       "<title>sample_1_SimulationCellLength&#45;&gt;cmso.SimulationCellLength</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M630.17,-191.31C657.85,-194.41 689.86,-197.6 718.99,-199.5 880.92,-210.08 1289.22,-189.12 1448.99,-217.5 1462.28,-219.86 1464.44,-225 1477.74,-227.25 1696.8,-264.38 3237.1,-219.18 3504.72,-245.31\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"3503.97,-248.75 3514.3,-246.35 3504.74,-241.79 3503.97,-248.75\"/>\n",
+       "<text text-anchor=\"middle\" x=\"1486.62\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">type</text>\n",
+       "</g>\n",
+       "<!-- f12b0697&#45;bf5a&#45;481c&#45;8e9c&#45;a9d9c3637803 -->\n",
+       "<g id=\"node67\" class=\"node\">\n",
+       "<title>f12b0697&#45;bf5a&#45;481c&#45;8e9c&#45;a9d9c3637803</title>\n",
+       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"395.64,-281.25 350.07,-281.25 338.34,-245.25 383.92,-245.25 395.64,-281.25\"/>\n",
+       "<text text-anchor=\"middle\" x=\"366.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">2.87</text>\n",
+       "</g>\n",
+       "<!-- sample_1_SimulationCellLength&#45;&gt;f12b0697&#45;bf5a&#45;481c&#45;8e9c&#45;a9d9c3637803 -->\n",
+       "<g id=\"edge40\" class=\"edge\">\n",
+       "<title>sample_1_SimulationCellLength&#45;&gt;f12b0697&#45;bf5a&#45;481c&#45;8e9c&#45;a9d9c3637803</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M487.85,-186.94C458.52,-191.49 425.35,-200.36 399.24,-217.5 392.2,-222.13 386.19,-228.86 381.33,-235.7\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"378.69,-233.34 376.25,-243.65 384.59,-237.11 378.69,-233.34\"/>\n",
+       "<text text-anchor=\"middle\" x=\"436.37\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasLength_z</text>\n",
+       "</g>\n",
+       "<!-- b65ae2ac&#45;13f4&#45;42e0&#45;8e4d&#45;00725e79d218 -->\n",
+       "<g id=\"node111\" class=\"node\">\n",
+       "<title>b65ae2ac&#45;13f4&#45;42e0&#45;8e4d&#45;00725e79d218</title>\n",
+       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"491.64,-281.25 446.07,-281.25 434.34,-245.25 479.92,-245.25 491.64,-281.25\"/>\n",
+       "<text text-anchor=\"middle\" x=\"462.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">2.87</text>\n",
+       "</g>\n",
+       "<!-- sample_1_SimulationCellLength&#45;&gt;b65ae2ac&#45;13f4&#45;42e0&#45;8e4d&#45;00725e79d218 -->\n",
+       "<g id=\"edge92\" class=\"edge\">\n",
+       "<title>sample_1_SimulationCellLength&#45;&gt;b65ae2ac&#45;13f4&#45;42e0&#45;8e4d&#45;00725e79d218</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M506.88,-199.89C497.89,-204.58 489.21,-210.38 482.24,-217.5 477.66,-222.18 474.09,-228.13 471.33,-234.15\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"468.1,-232.8 467.76,-243.39 474.63,-235.33 468.1,-232.8\"/>\n",
+       "<text text-anchor=\"middle\" x=\"519.37\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasLength_y</text>\n",
+       "</g>\n",
+       "<!-- 637d543a&#45;215b&#45;4a9a&#45;a51c&#45;8f991586ea27 -->\n",
+       "<g id=\"node141\" class=\"node\">\n",
+       "<title>637d543a&#45;215b&#45;4a9a&#45;a51c&#45;8f991586ea27</title>\n",
+       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"587.64,-281.25 542.07,-281.25 530.34,-245.25 575.92,-245.25 587.64,-281.25\"/>\n",
+       "<text text-anchor=\"middle\" x=\"558.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">2.87</text>\n",
+       "</g>\n",
+       "<!-- sample_1_SimulationCellLength&#45;&gt;637d543a&#45;215b&#45;4a9a&#45;a51c&#45;8f991586ea27 -->\n",
+       "<g id=\"edge152\" class=\"edge\">\n",
+       "<title>sample_1_SimulationCellLength&#45;&gt;637d543a&#45;215b&#45;4a9a&#45;a51c&#45;8f991586ea27</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M558.99,-199.8C558.99,-209.73 558.99,-222.44 558.99,-233.8\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"555.49,-233.47 558.99,-243.47 562.49,-233.47 555.49,-233.47\"/>\n",
+       "<text text-anchor=\"middle\" x=\"595.37\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasLength_x</text>\n",
+       "</g>\n",
+       "<!-- sample_1 -->\n",
+       "<g id=\"node68\" class=\"node\">\n",
+       "<title>sample_1</title>\n",
+       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"2633.99,-36 2579.99,-36 2579.99,0 2633.99,0 2633.99,-36\"/>\n",
+       "<text text-anchor=\"middle\" x=\"2606.99\" y=\"-15.28\" font-family=\"Times,serif\" font-size=\"8.00\">sample_1</text>\n",
+       "</g>\n",
+       "<!-- sample_1&#45;&gt;cmso.AtomicScaleSample -->\n",
+       "<g id=\"edge209\" class=\"edge\">\n",
+       "<title>sample_1&#45;&gt;cmso.AtomicScaleSample</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M2634.24,-18.99C2814.38,-19.05 3836.24,-20.84 4145.99,-54 4201.01,-59.89 4262.45,-71.99 4308.28,-82.13\"/>\n",
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+       "<text text-anchor=\"middle\" x=\"4219.62\" y=\"-56.15\" font-family=\"Times,serif\" font-size=\"8.00\">type</text>\n",
+       "</g>\n",
+       "<!-- sample_1&#45;&gt;sample_1_SimulationCell -->\n",
+       "<g id=\"edge120\" class=\"edge\">\n",
+       "<title>sample_1&#45;&gt;sample_1_SimulationCell</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M2579.82,-20.35C2397.41,-29.42 1349.69,-81.51 1071.05,-95.37\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"1071.23,-91.85 1061.42,-95.85 1071.58,-98.84 1071.23,-91.85\"/>\n",
+       "<text text-anchor=\"middle\" x=\"1948.49\" y=\"-56.15\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasSimulationCell</text>\n",
        "</g>\n",
-       "<!-- UnitCell_3LatticeAngle&#45;&gt;cmso.LatticeAngle -->\n",
-       "<g id=\"edge161\" class=\"edge\">\n",
-       "<title>UnitCell_3LatticeAngle&#45;&gt;cmso.LatticeAngle</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M8237.19,-361.08C8240.16,-361.76 8243.11,-362.41 8245.99,-363 8301.84,-374.45 8316.67,-372.18 8372.99,-381 8444.02,-392.12 8525.66,-406.35 8578.45,-415.75\"/>\n",
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-       "<text text-anchor=\"middle\" x=\"8439.62\" y=\"-383.15\" font-family=\"Times,serif\" font-size=\"8.00\">type</text>\n",
+       "<!-- sample_1&#45;&gt;sample_1_Position -->\n",
+       "<g id=\"edge146\" class=\"edge\">\n",
+       "<title>sample_1&#45;&gt;sample_1_Position</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M2579.52,-22.27C2478.94,-34.27 2129.55,-75.91 1993.15,-92.18\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"1992.79,-88.69 1983.28,-93.35 1993.62,-95.64 1992.79,-88.69\"/>\n",
+       "<text text-anchor=\"middle\" x=\"2348.99\" y=\"-56.15\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasAttribute</text>\n",
        "</g>\n",
-       "<!-- 51520df7&#45;9c2c&#45;4ea6&#45;a1b8&#45;8e7a1234a26e -->\n",
-       "<g id=\"node76\" class=\"node\">\n",
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-       "<text text-anchor=\"middle\" x=\"8079.99\" y=\"-424.02\" font-family=\"Times,serif\" font-size=\"8.00\">90</text>\n",
+       "<!-- sample_1&#45;&gt;sample_1_Species -->\n",
+       "<g id=\"edge199\" class=\"edge\">\n",
+       "<title>sample_1&#45;&gt;sample_1_Species</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M2579.81,-26.12C2563.83,-31.5 2544.24,-40.34 2530.99,-54 2526.44,-58.69 2522.9,-64.65 2520.18,-70.67\"/>\n",
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+       "<text text-anchor=\"middle\" x=\"2566.99\" y=\"-56.15\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasAttribute</text>\n",
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-       "<!-- UnitCell_3LatticeAngle&#45;&gt;51520df7&#45;9c2c&#45;4ea6&#45;a1b8&#45;8e7a1234a26e -->\n",
-       "<g id=\"edge56\" class=\"edge\">\n",
-       "<title>UnitCell_3LatticeAngle&#45;&gt;51520df7&#45;9c2c&#45;4ea6&#45;a1b8&#45;8e7a1234a26e</title>\n",
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-       "<text text-anchor=\"middle\" x=\"8139.12\" y=\"-383.15\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasAngle_beta</text>\n",
+       "<!-- sample_1_ChemicalSpecies -->\n",
+       "<g id=\"node69\" class=\"node\">\n",
+       "<title>sample_1_ChemicalSpecies</title>\n",
+       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"2919.62,-117.75 2796.37,-117.75 2796.37,-81.75 2919.62,-81.75 2919.62,-117.75\"/>\n",
+       "<text text-anchor=\"middle\" x=\"2857.99\" y=\"-97.03\" font-family=\"Times,serif\" font-size=\"8.00\">sample_1_ChemicalSpecies</text>\n",
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-       "<g id=\"node104\" class=\"node\">\n",
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+       "<!-- sample_1&#45;&gt;sample_1_ChemicalSpecies -->\n",
+       "<g id=\"edge41\" class=\"edge\">\n",
+       "<title>sample_1&#45;&gt;sample_1_ChemicalSpecies</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M2634.49,-20.61C2671.71,-23.57 2739.6,-31.77 2792.99,-54 2805.39,-59.16 2817.82,-66.93 2828.44,-74.55\"/>\n",
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+       "<text text-anchor=\"middle\" x=\"2843.99\" y=\"-56.15\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasSpecies</text>\n",
        "</g>\n",
-       "<!-- UnitCell_3LatticeAngle&#45;&gt;4f1dfd3d&#45;c277&#45;46c1&#45;b7e9&#45;af9324f42674 -->\n",
-       "<g id=\"edge80\" class=\"edge\">\n",
-       "<title>UnitCell_3LatticeAngle&#45;&gt;4f1dfd3d&#45;c277&#45;46c1&#45;b7e9&#45;af9324f42674</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M8182.99,-363.3C8182.99,-373.34 8182.99,-386.21 8182.99,-397.66\"/>\n",
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-       "<text text-anchor=\"middle\" x=\"8225.37\" y=\"-383.15\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasAngle_alpha</text>\n",
-       "</g>\n",
-       "<!-- b9def036&#45;6637&#45;4ab0&#45;bc72&#45;ae5b33a6618d -->\n",
-       "<g id=\"node197\" class=\"node\">\n",
-       "<title>b9def036&#45;6637&#45;4ab0&#45;bc72&#45;ae5b33a6618d</title>\n",
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-       "<!-- UnitCell_3LatticeAngle&#45;&gt;b9def036&#45;6637&#45;4ab0&#45;bc72&#45;ae5b33a6618d -->\n",
-       "<g id=\"edge213\" class=\"edge\">\n",
-       "<title>UnitCell_3LatticeAngle&#45;&gt;b9def036&#45;6637&#45;4ab0&#45;bc72&#45;ae5b33a6618d</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M8237.01,-360.99C8248.51,-366 8259.91,-372.54 8268.99,-381 8274.23,-385.88 8278.38,-392.28 8281.6,-398.7\"/>\n",
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-       "<text text-anchor=\"middle\" x=\"8323.12\" y=\"-383.15\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasAngle_gamma</text>\n",
-       "</g>\n",
-       "<!-- Atom_3_2 -->\n",
-       "<g id=\"node78\" class=\"node\">\n",
-       "<title>Atom_3_2</title>\n",
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-       "<text text-anchor=\"middle\" x=\"6347.99\" y=\"-97.03\" font-family=\"Times,serif\" font-size=\"8.00\">Atom_3_2</text>\n",
+       "<!-- a3cd1c5e&#45;b6b2&#45;427b&#45;829d&#45;161922eaca04 -->\n",
+       "<g id=\"node70\" class=\"node\">\n",
+       "<title>a3cd1c5e&#45;b6b2&#45;427b&#45;829d&#45;161922eaca04</title>\n",
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        "</g>\n",
-       "<!-- Atom_3_2&#45;&gt;cmso.Atom -->\n",
-       "<g id=\"edge166\" class=\"edge\">\n",
-       "<title>Atom_3_2&#45;&gt;cmso.Atom</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M6320.19,-100.8C6215.45,-101.2 5844.94,-104.85 5731.74,-135.75 5714.17,-140.55 5696.07,-149.2 5680.97,-157.63\"/>\n",
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-       "<text text-anchor=\"middle\" x=\"5740.62\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">type</text>\n",
+       "<!-- sample_1&#45;&gt;a3cd1c5e&#45;b6b2&#45;427b&#45;829d&#45;161922eaca04 -->\n",
+       "<g id=\"edge42\" class=\"edge\">\n",
+       "<title>sample_1&#45;&gt;a3cd1c5e&#45;b6b2&#45;427b&#45;829d&#45;161922eaca04</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M2606.99,-36.3C2606.99,-46.23 2606.99,-58.94 2606.99,-70.3\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"2603.49,-69.97 2606.99,-79.97 2610.49,-69.97 2603.49,-69.97\"/>\n",
+       "<text text-anchor=\"middle\" x=\"2658.74\" y=\"-56.15\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasNumberOfAtoms</text>\n",
        "</g>\n",
-       "<!-- Atom_3_2_Element -->\n",
-       "<g id=\"node79\" class=\"node\">\n",
-       "<title>Atom_3_2_Element</title>\n",
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-       "<text text-anchor=\"middle\" x=\"6255.99\" y=\"-178.78\" font-family=\"Times,serif\" font-size=\"8.00\">Atom_3_2_Element</text>\n",
+       "<!-- sample_1_Material -->\n",
+       "<g id=\"node72\" class=\"node\">\n",
+       "<title>sample_1_Material</title>\n",
+       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"2778.74,-117.75 2689.24,-117.75 2689.24,-81.75 2778.74,-81.75 2778.74,-117.75\"/>\n",
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-       "<!-- Atom_3_2&#45;&gt;Atom_3_2_Element -->\n",
-       "<g id=\"edge58\" class=\"edge\">\n",
-       "<title>Atom_3_2&#45;&gt;Atom_3_2_Element</title>\n",
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-       "<text text-anchor=\"middle\" x=\"6309.49\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasElement</text>\n",
+       "<!-- sample_1&#45;&gt;sample_1_Material -->\n",
+       "<g id=\"edge83\" class=\"edge\">\n",
+       "<title>sample_1&#45;&gt;sample_1_Material</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M2634.46,-22.2C2657.53,-26.17 2690.14,-34.92 2711.99,-54 2717.26,-58.6 2721.39,-64.74 2724.58,-71.01\"/>\n",
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+       "<!-- sample_1_ChemicalSpecies&#45;&gt;cmso.ChemicalSpecies -->\n",
+       "<g id=\"edge47\" class=\"edge\">\n",
+       "<title>sample_1_ChemicalSpecies&#45;&gt;cmso.ChemicalSpecies</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M2919.78,-102.78C3031.56,-106.36 3274.78,-113.83 3479.99,-117.75 3847.06,-124.77 4765.84,-108.98 5131.99,-135.75 5164.09,-138.1 5171.67,-142.87 5203.74,-145.5 5341.06,-156.74 5682.11,-143.36 5836.81,-163.52\"/>\n",
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-       "<g id=\"edge64\" class=\"edge\">\n",
-       "<title>Atom_3_2&#45;&gt;7d6f03cc&#45;b329&#45;4d29&#45;9364&#45;8985f72d6fc0</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M6347.99,-118.05C6347.99,-128.09 6347.99,-140.96 6347.99,-152.41\"/>\n",
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-       "<text text-anchor=\"middle\" x=\"6407.99\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasCoordinationNumber</text>\n",
+       "<!-- CHEBI.18248 -->\n",
+       "<g id=\"node91\" class=\"node\">\n",
+       "<title>CHEBI.18248</title>\n",
+       "<polygon fill=\"#ffffcc\" stroke=\"#ffffcc\" points=\"2883.12,-199.5 2810.87,-199.5 2810.87,-163.5 2883.12,-163.5 2883.12,-199.5\"/>\n",
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-       "<!-- Atom_3_2_Position -->\n",
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-       "<title>Atom_3_2_Position</title>\n",
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-       "<text text-anchor=\"middle\" x=\"6490.99\" y=\"-178.78\" font-family=\"Times,serif\" font-size=\"8.00\">Atom_3_2_Position</text>\n",
+       "<!-- sample_1_ChemicalSpecies&#45;&gt;CHEBI.18248 -->\n",
+       "<g id=\"edge65\" class=\"edge\">\n",
+       "<title>sample_1_ChemicalSpecies&#45;&gt;CHEBI.18248</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M2855.61,-118.05C2854.24,-127.98 2852.48,-140.69 2850.92,-152.05\"/>\n",
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+       "<text text-anchor=\"middle\" x=\"2888.49\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasElement</text>\n",
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-       "<g id=\"edge121\" class=\"edge\">\n",
-       "<title>Atom_3_2&#45;&gt;Atom_3_2_Position</title>\n",
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-       "<text text-anchor=\"middle\" x=\"6524.12\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasPositionVector</text>\n",
+       "<!-- CHEBI.27573&#45;&gt;cmso.Element -->\n",
+       "<g id=\"edge44\" class=\"edge\">\n",
+       "<title>CHEBI.27573&#45;&gt;cmso.Element</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M6111.44,-197.42C6108.61,-198.23 6105.78,-198.94 6102.99,-199.5 5872.65,-245.63 5807.01,-182.36 5574.74,-217.5 5558.46,-219.96 5555.06,-223.65 5538.99,-227.25 5497.32,-236.59 5483.39,-233.6 5439.08,-244.99\"/>\n",
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-       "<g id=\"edge122\" class=\"edge\">\n",
-       "<title>Atom_3_2_Element&#45;&gt;cmso.Element</title>\n",
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-       "<g id=\"edge190\" class=\"edge\">\n",
-       "<title>Atom_3_2_Element&#45;&gt;7abbb511&#45;c984&#45;467a&#45;ac01&#45;a05efbbd12ef</title>\n",
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-       "</g>\n",
-       "<!-- UnitCell_3LatticeParameter&#45;&gt;cmso.LatticeParameter -->\n",
-       "<g id=\"edge305\" class=\"edge\">\n",
-       "<title>UnitCell_3LatticeParameter&#45;&gt;cmso.LatticeParameter</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M9176.15,-352.08C9211.16,-355.41 9255.47,-359.55 9294.99,-363 9344.08,-367.29 9472.95,-357.02 9515.99,-381 9523.7,-385.29 9530.11,-392.23 9535.17,-399.37\"/>\n",
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-       "<text text-anchor=\"middle\" x=\"9016.99\" y=\"-424.02\" font-family=\"Times,serif\" font-size=\"8.00\">3.57</text>\n",
+       "<!-- 0995011e&#45;a1da&#45;4b76&#45;a5ba&#45;407377adb35f -->\n",
+       "<g id=\"node74\" class=\"node\">\n",
+       "<title>0995011e&#45;a1da&#45;4b76&#45;a5ba&#45;407377adb35f</title>\n",
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-       "<!-- UnitCell_3LatticeParameter&#45;&gt;1d23d1ac&#45;c0e7&#45;4c45&#45;8785&#45;46c26c1a5f1e -->\n",
-       "<g id=\"edge59\" class=\"edge\">\n",
-       "<title>UnitCell_3LatticeParameter&#45;&gt;1d23d1ac&#45;c0e7&#45;4c45&#45;8785&#45;46c26c1a5f1e</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M9060.88,-363.39C9051.89,-368.08 9043.21,-373.88 9036.24,-381 9031.54,-385.8 9027.91,-391.93 9025.13,-398.1\"/>\n",
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-       "<text text-anchor=\"middle\" x=\"9073.37\" y=\"-383.15\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasLength_y</text>\n",
+       "<!-- CHEBI.27573&#45;&gt;0995011e&#45;a1da&#45;4b76&#45;a5ba&#45;407377adb35f -->\n",
+       "<g id=\"edge49\" class=\"edge\">\n",
+       "<title>CHEBI.27573&#45;&gt;0995011e&#45;a1da&#45;4b76&#45;a5ba&#45;407377adb35f</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M6163.18,-199.8C6172.63,-210.57 6184.95,-224.6 6195.52,-236.64\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"6192.61,-238.63 6201.83,-243.84 6197.87,-234.02 6192.61,-238.63\"/>\n",
+       "<text text-anchor=\"middle\" x=\"6231.62\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasElementRatio</text>\n",
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-       "<!-- b6ca51af&#45;1b8e&#45;4664&#45;a56a&#45;aec8068a593b -->\n",
-       "<g id=\"node106\" class=\"node\">\n",
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-       "<text text-anchor=\"middle\" x=\"9112.99\" y=\"-424.02\" font-family=\"Times,serif\" font-size=\"8.00\">3.57</text>\n",
+       "<!-- 45ee9e3d&#45;8676&#45;4b36&#45;af42&#45;03f6b4b6985b -->\n",
+       "<g id=\"node124\" class=\"node\">\n",
+       "<title>45ee9e3d&#45;8676&#45;4b36&#45;af42&#45;03f6b4b6985b</title>\n",
+       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"6357.98,-281.25 6313.46,-281.25 6302,-245.25 6346.53,-245.25 6357.98,-281.25\"/>\n",
+       "<text text-anchor=\"middle\" x=\"6329.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">Si</text>\n",
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-       "<!-- UnitCell_3LatticeParameter&#45;&gt;b6ca51af&#45;1b8e&#45;4664&#45;a56a&#45;aec8068a593b -->\n",
-       "<g id=\"edge82\" class=\"edge\">\n",
-       "<title>UnitCell_3LatticeParameter&#45;&gt;b6ca51af&#45;1b8e&#45;4664&#45;a56a&#45;aec8068a593b</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M9112.99,-363.3C9112.99,-373.34 9112.99,-386.21 9112.99,-397.66\"/>\n",
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-       "</g>\n",
-       "<!-- 8df14f3a&#45;66b7&#45;4198&#45;9898&#45;7b788e1e654f -->\n",
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-       "<title>UnitCell_3LatticeParameter&#45;&gt;8df14f3a&#45;66b7&#45;4198&#45;9898&#45;7b788e1e654f</title>\n",
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-       "<text text-anchor=\"middle\" x=\"9231.37\" y=\"-383.15\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasLength_x</text>\n",
-       "</g>\n",
-       "<!-- Atom_2_3_Position -->\n",
-       "<g id=\"node82\" class=\"node\">\n",
-       "<title>Atom_2_3_Position</title>\n",
-       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"4000.74,-199.5 3911.24,-199.5 3911.24,-163.5 4000.74,-163.5 4000.74,-199.5\"/>\n",
-       "<text text-anchor=\"middle\" x=\"3955.99\" y=\"-178.78\" font-family=\"Times,serif\" font-size=\"8.00\">Atom_2_3_Position</text>\n",
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+       "<g id=\"edge117\" class=\"edge\">\n",
+       "<title>CHEBI.27573&#45;&gt;45ee9e3d&#45;8676&#45;4b36&#45;af42&#45;03f6b4b6985b</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M6184.49,-196.54C6187.68,-197.6 6190.88,-198.61 6193.99,-199.5 6231.52,-210.3 6245.14,-199.88 6279.99,-217.5 6289.66,-222.39 6298.9,-229.63 6306.75,-236.87\"/>\n",
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+       "<text text-anchor=\"middle\" x=\"6325.62\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasSymbol</text>\n",
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-       "<!-- Atom_2_3_Position&#45;&gt;cmso.PositionVector -->\n",
-       "<g id=\"edge60\" class=\"edge\">\n",
-       "<title>Atom_2_3_Position&#45;&gt;cmso.PositionVector</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M4001.2,-190.9C4036.41,-197.6 4086.45,-207.5 4129.99,-217.5 4146.88,-221.38 4150.57,-224.96 4167.74,-227.25 4499.56,-271.43 5340.47,-216.67 5673.99,-245.25 5689.53,-246.58 5706.24,-248.86 5721.69,-251.32\"/>\n",
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-       "<text text-anchor=\"middle\" x=\"4176.62\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">type</text>\n",
+       "<!-- sample_1_Material&#45;&gt;sample_1_CrystalStructure -->\n",
+       "<g id=\"edge46\" class=\"edge\">\n",
+       "<title>sample_1_Material&#45;&gt;sample_1_CrystalStructure</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M2733.56,-118.05C2733.31,-127.98 2732.99,-140.69 2732.71,-152.05\"/>\n",
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+       "<text text-anchor=\"middle\" x=\"2771.12\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasStructure</text>\n",
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-       "<!-- f1ac1457&#45;9aa5&#45;453c&#45;bcfe&#45;12af1ed960cd -->\n",
-       "<g id=\"node83\" class=\"node\">\n",
-       "<title>f1ac1457&#45;9aa5&#45;453c&#45;bcfe&#45;12af1ed960cd</title>\n",
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-       "<text text-anchor=\"middle\" x=\"3729.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">4.0725</text>\n",
+       "<!-- sample_1_Material&#45;&gt;cmso.CrystallineMaterial -->\n",
+       "<g id=\"edge160\" class=\"edge\">\n",
+       "<title>sample_1_Material&#45;&gt;cmso.CrystallineMaterial</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M2779.17,-116.19C2781.8,-116.79 2784.42,-117.32 2786.99,-117.75 2975.31,-149.24 3456.69,-110.86 3645.99,-135.75 3664.03,-138.12 3667.78,-142.63 3685.74,-145.5 3785.33,-161.43 3814.97,-147.44 3917.7,-163.33\"/>\n",
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-       "<g id=\"edge62\" class=\"edge\">\n",
-       "<title>Atom_2_3_Position&#45;&gt;f1ac1457&#45;9aa5&#45;453c&#45;bcfe&#45;12af1ed960cd</title>\n",
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-       "<text text-anchor=\"middle\" x=\"3801.99\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasComponent_x</text>\n",
+       "<!-- unit.DEG -->\n",
+       "<g id=\"node78\" class=\"node\">\n",
+       "<title>unit.DEG</title>\n",
+       "<polygon fill=\"#ffffcc\" stroke=\"#ffffcc\" points=\"3841.99,-608.25 3787.99,-608.25 3787.99,-572.25 3841.99,-572.25 3841.99,-608.25\"/>\n",
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-       "<g id=\"node140\" class=\"node\">\n",
-       "<title>c25f0423&#45;b3e2&#45;4158&#45;9a72&#45;944ffbaf861c</title>\n",
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-       "<text text-anchor=\"middle\" x=\"3837.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">4.0725</text>\n",
+       "<!-- cmso.Angle&#45;&gt;unit.DEG -->\n",
+       "<g id=\"edge52\" class=\"edge\">\n",
+       "<title>cmso.Angle&#45;&gt;unit.DEG</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M3921.48,-526.8C3901.11,-538.75 3873.88,-554.72 3852.05,-567.52\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"3850.3,-564.49 3843.44,-572.57 3853.84,-570.53 3850.3,-564.49\"/>\n",
+       "<text text-anchor=\"middle\" x=\"3918.62\" y=\"-546.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasUnit</text>\n",
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-       "<g id=\"edge123\" class=\"edge\">\n",
-       "<title>Atom_2_3_Position&#45;&gt;c25f0423&#45;b3e2&#45;4158&#45;9a72&#45;944ffbaf861c</title>\n",
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-       "</g>\n",
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-       "<g id=\"node211\" class=\"node\">\n",
-       "<title>fe7a97a7&#45;c8f3&#45;4686&#45;a9d4&#45;b2ef3e542ca7</title>\n",
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-       "<g id=\"edge237\" class=\"edge\">\n",
-       "<title>Atom_2_3_Position&#45;&gt;fe7a97a7&#45;c8f3&#45;4686&#45;a9d4&#45;b2ef3e542ca7</title>\n",
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-       "<text text-anchor=\"middle\" x=\"3996.99\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasComponent_z</text>\n",
-       "</g>\n",
-       "<!-- UnitCell_2 -->\n",
-       "<g id=\"node84\" class=\"node\">\n",
-       "<title>UnitCell_2</title>\n",
-       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"3569.62,-281.25 3512.37,-281.25 3512.37,-245.25 3569.62,-245.25 3569.62,-281.25\"/>\n",
-       "<text text-anchor=\"middle\" x=\"3540.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">UnitCell_2</text>\n",
+       "<!-- cmso.LatticeAngle&#45;&gt;cmso.Angle -->\n",
+       "<g id=\"edge87\" class=\"edge\">\n",
+       "<title>cmso.LatticeAngle&#45;&gt;cmso.Angle</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M4010.5,-445.05C4000.14,-455.92 3986.61,-470.13 3975.06,-482.24\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"3972.86,-479.48 3968.5,-489.13 3977.93,-484.31 3972.86,-479.48\"/>\n",
+       "<text text-anchor=\"middle\" x=\"4016.12\" y=\"-464.9\" font-family=\"Times,serif\" font-size=\"8.00\">subClassOf</text>\n",
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-       "<!-- UnitCell_2&#45;&gt;UnitCell_2LatticeParameter -->\n",
-       "<g id=\"edge63\" class=\"edge\">\n",
-       "<title>UnitCell_2&#45;&gt;UnitCell_2LatticeParameter</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M3570.09,-278.93C3572.72,-279.85 3575.37,-280.65 3577.99,-281.25 3699.96,-309.23 5704.91,-323.44 5829.99,-327 5967.82,-330.92 6128.61,-337.19 6220.15,-340.92\"/>\n",
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-       "<text text-anchor=\"middle\" x=\"4437.87\" y=\"-301.4\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasLatticeParamter</text>\n",
+       "<!-- sample_3_Species&#45;&gt;cmso.AtomAttribute -->\n",
+       "<g id=\"edge56\" class=\"edge\">\n",
+       "<title>sample_3_Species&#45;&gt;cmso.AtomAttribute</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M4716.57,-102.7C4774.36,-106.08 4872.42,-114.78 4900.99,-135.75 4906.86,-140.05 4911.24,-146.35 4914.48,-152.87\"/>\n",
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-       "<!-- UnitCell_2LatticeAngle -->\n",
-       "<g id=\"node112\" class=\"node\">\n",
-       "<title>UnitCell_2LatticeAngle</title>\n",
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+       "<g id=\"node110\" class=\"node\">\n",
+       "<title>33272bbe&#45;13df&#45;4d49&#45;8920&#45;80adac21969e</title>\n",
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+       "<text text-anchor=\"middle\" x=\"4817.99\" y=\"-178.78\" font-family=\"Times,serif\" font-size=\"8.00\">Species</text>\n",
        "</g>\n",
-       "<!-- UnitCell_2&#45;&gt;UnitCell_2LatticeAngle -->\n",
-       "<g id=\"edge184\" class=\"edge\">\n",
-       "<title>UnitCell_2&#45;&gt;UnitCell_2LatticeAngle</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M3570.1,-278.91C3572.72,-279.83 3575.38,-280.64 3577.99,-281.25 3789.04,-330.59 5360.9,-341.82 5701.87,-343.68\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"5701.75,-347.19 5711.77,-343.74 5701.79,-340.19 5701.75,-347.19\"/>\n",
-       "<text text-anchor=\"middle\" x=\"3881.62\" y=\"-301.4\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasAngle</text>\n",
+       "<!-- sample_3_Species&#45;&gt;33272bbe&#45;13df&#45;4d49&#45;8920&#45;80adac21969e -->\n",
+       "<g id=\"edge91\" class=\"edge\">\n",
+       "<title>sample_3_Species&#45;&gt;33272bbe&#45;13df&#45;4d49&#45;8920&#45;80adac21969e</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M4704.46,-118.05C4725.57,-129.67 4753.61,-145.09 4776.54,-157.7\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"4774.57,-160.61 4785.01,-162.36 4777.94,-154.48 4774.57,-160.61\"/>\n",
+       "<text text-anchor=\"middle\" x=\"4784.62\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasName</text>\n",
        "</g>\n",
-       "<!-- UnitCell_2&#45;&gt;cmso.UnitCell -->\n",
-       "<g id=\"edge157\" class=\"edge\">\n",
-       "<title>UnitCell_2&#45;&gt;cmso.UnitCell</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M3570.09,-278.96C3572.71,-279.88 3575.37,-280.66 3577.99,-281.25 3608.86,-288.16 7992.05,-319.33 8243.32,-328.37\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"8243.1,-331.92 8253.28,-329 8243.5,-324.93 8243.1,-331.92\"/>\n",
-       "<text text-anchor=\"middle\" x=\"6336.62\" y=\"-301.4\" font-family=\"Times,serif\" font-size=\"8.00\">type</text>\n",
+       "<!-- 1d9586a3&#45;7eff&#45;40ba&#45;ba58&#45;7dc09acbd460 -->\n",
+       "<g id=\"node144\" class=\"node\">\n",
+       "<title>1d9586a3&#45;7eff&#45;40ba&#45;ba58&#45;7dc09acbd460</title>\n",
+       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"4410.48,-199.5 4244.26,-199.5 4201.5,-163.5 4367.72,-163.5 4410.48,-199.5\"/>\n",
+       "<text text-anchor=\"middle\" x=\"4305.99\" y=\"-178.78\" font-family=\"Times,serif\" font-size=\"8.00\">Rdf_Structure_Store/3.Json</text>\n",
        "</g>\n",
-       "<!-- UnitCell_2&#45;&gt;wiki.Q3006714 -->\n",
-       "<g id=\"edge211\" class=\"edge\">\n",
-       "<title>UnitCell_2&#45;&gt;wiki.Q3006714</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M3570.09,-278.94C3572.72,-279.86 3575.37,-280.65 3577.99,-281.25 3596.87,-285.54 6346.65,-326.17 6365.99,-327 6433.99,-329.91 6512.4,-335.76 6562.07,-339.78\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"6561.58,-343.33 6571.83,-340.66 6562.15,-336.35 6561.58,-343.33\"/>\n",
-       "<text text-anchor=\"middle\" x=\"5184.12\" y=\"-301.4\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasBravaisLattice</text>\n",
+       "<!-- sample_3_Species&#45;&gt;1d9586a3&#45;7eff&#45;40ba&#45;ba58&#45;7dc09acbd460 -->\n",
+       "<g id=\"edge156\" class=\"edge\">\n",
+       "<title>sample_3_Species&#45;&gt;1d9586a3&#45;7eff&#45;40ba&#45;ba58&#45;7dc09acbd460</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M4629.45,-110.21C4568.68,-123.42 4457.48,-147.58 4382.66,-163.84\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"4381.94,-160.41 4372.91,-165.96 4383.43,-167.26 4381.94,-160.41\"/>\n",
+       "<text text-anchor=\"middle\" x=\"4538.99\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasPath</text>\n",
        "</g>\n",
-       "<!-- Atom_2_3&#45;&gt;cmso.Atom -->\n",
-       "<g id=\"edge165\" class=\"edge\">\n",
-       "<title>Atom_2_3&#45;&gt;cmso.Atom</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M4292.9,-103.19C4332.81,-106.63 4408.49,-113.04 4472.99,-117.75 4597.36,-126.83 4628.75,-125.01 4752.99,-135.75 4792.97,-139.2 4802.71,-142.84 4842.74,-145.5 5165.79,-167 5249.76,-123.05 5570.99,-163.5 5581.98,-164.88 5593.72,-167.19 5604.54,-169.66\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"5603.46,-173.24 5614,-172.17 5605.08,-166.43 5603.46,-173.24\"/>\n",
-       "<text text-anchor=\"middle\" x=\"4851.62\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">type</text>\n",
+       "<!-- 89a3ef9f&#45;2b7e&#45;4da4&#45;82aa&#45;18ce39e09b76 -->\n",
+       "<g id=\"node155\" class=\"node\">\n",
+       "<title>89a3ef9f&#45;2b7e&#45;4da4&#45;82aa&#45;18ce39e09b76</title>\n",
+       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"4761.41,-199.5 4496.67,-199.5 4428.57,-163.5 4693.31,-163.5 4761.41,-199.5\"/>\n",
+       "<text text-anchor=\"middle\" x=\"4594.99\" y=\"-178.78\" font-family=\"Times,serif\" font-size=\"8.00\">598D8Fec&#45;2814&#45;47Ee&#45;Bb49&#45;B9Dece57B380</text>\n",
        "</g>\n",
-       "<!-- Atom_2_3&#45;&gt;Atom_2_3_Position -->\n",
-       "<g id=\"edge65\" class=\"edge\">\n",
-       "<title>Atom_2_3&#45;&gt;Atom_2_3_Position</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M4237.12,-106.63C4219.39,-110.22 4195.92,-114.69 4174.99,-117.75 4098.39,-128.94 4071.82,-102.85 4001.74,-135.75 3992.14,-140.26 3983.34,-147.63 3976.07,-155.1\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"3973.94,-152.34 3969.83,-162.11 3979.13,-157.04 3973.94,-152.34\"/>\n",
-       "<text text-anchor=\"middle\" x=\"4048.12\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasPositionVector</text>\n",
+       "<!-- sample_3_Species&#45;&gt;89a3ef9f&#45;2b7e&#45;4da4&#45;82aa&#45;18ce39e09b76 -->\n",
+       "<g id=\"edge170\" class=\"edge\">\n",
+       "<title>sample_3_Species&#45;&gt;89a3ef9f&#45;2b7e&#45;4da4&#45;82aa&#45;18ce39e09b76</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M4656.07,-118.05C4645.44,-128.92 4631.54,-143.13 4619.7,-155.24\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"4617.43,-152.55 4612.94,-162.15 4622.44,-157.45 4617.43,-152.55\"/>\n",
+       "<text text-anchor=\"middle\" x=\"4675.37\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasIdentifier</text>\n",
        "</g>\n",
-       "<!-- Atom_2_3_Element -->\n",
-       "<g id=\"node167\" class=\"node\">\n",
-       "<title>Atom_2_3_Element</title>\n",
-       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"4329.87,-199.5 4238.12,-199.5 4238.12,-163.5 4329.87,-163.5 4329.87,-199.5\"/>\n",
-       "<text text-anchor=\"middle\" x=\"4283.99\" y=\"-178.78\" font-family=\"Times,serif\" font-size=\"8.00\">Atom_2_3_Element</text>\n",
-       "</g>\n",
-       "<!-- Atom_2_3&#45;&gt;Atom_2_3_Element -->\n",
-       "<g id=\"edge232\" class=\"edge\">\n",
-       "<title>Atom_2_3&#45;&gt;Atom_2_3_Element</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M4269.12,-118.05C4271.53,-128.19 4274.64,-141.23 4277.39,-152.77\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"4274.16,-153.31 4279.88,-162.23 4280.96,-151.69 4274.16,-153.31\"/>\n",
-       "<text text-anchor=\"middle\" x=\"4310.49\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasElement</text>\n",
-       "</g>\n",
-       "<!-- b1b3e461&#45;686e&#45;431e&#45;a264&#45;df8272216007 -->\n",
-       "<g id=\"node173\" class=\"node\">\n",
-       "<title>b1b3e461&#45;686e&#45;431e&#45;a264&#45;df8272216007</title>\n",
-       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"4128.98,-199.5 4084.46,-199.5 4073,-163.5 4117.53,-163.5 4128.98,-199.5\"/>\n",
-       "<text text-anchor=\"middle\" x=\"4100.99\" y=\"-178.78\" font-family=\"Times,serif\" font-size=\"8.00\">4</text>\n",
+       "<!-- sample_3_LatticeAngle&#45;&gt;cmso.LatticeAngle -->\n",
+       "<g id=\"edge158\" class=\"edge\">\n",
+       "<title>sample_3_LatticeAngle&#45;&gt;cmso.LatticeAngle</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M4279.25,-348.12C4211,-351.62 4097.76,-360.41 4061.74,-381 4054.11,-385.36 4047.57,-392.14 4042.29,-399.1\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"4039.47,-397.02 4036.74,-407.26 4045.26,-400.96 4039.47,-397.02\"/>\n",
+       "<text text-anchor=\"middle\" x=\"4070.62\" y=\"-383.15\" font-family=\"Times,serif\" font-size=\"8.00\">type</text>\n",
        "</g>\n",
-       "<!-- Atom_2_3&#45;&gt;b1b3e461&#45;686e&#45;431e&#45;a264&#45;df8272216007 -->\n",
-       "<g id=\"edge176\" class=\"edge\">\n",
-       "<title>Atom_2_3&#45;&gt;b1b3e461&#45;686e&#45;431e&#45;a264&#45;df8272216007</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M4237.06,-106.29C4191.05,-115.48 4104.16,-133.13 4101.99,-135.75 4098.15,-140.39 4096.55,-146.32 4096.18,-152.34\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"4092.71,-152.15 4096.62,-162 4099.7,-151.86 4092.71,-152.15\"/>\n",
-       "<text text-anchor=\"middle\" x=\"4161.99\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasCoordinationNumber</text>\n",
+       "<!-- cc2f0150&#45;fd9a&#45;4550&#45;86c8&#45;a1e6c3c9a861 -->\n",
+       "<g id=\"node83\" class=\"node\">\n",
+       "<title>cc2f0150&#45;fd9a&#45;4550&#45;86c8&#45;a1e6c3c9a861</title>\n",
+       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"4464.64,-444.75 4419.07,-444.75 4407.34,-408.75 4452.92,-408.75 4464.64,-444.75\"/>\n",
+       "<text text-anchor=\"middle\" x=\"4435.99\" y=\"-424.02\" font-family=\"Times,serif\" font-size=\"8.00\">90.0</text>\n",
        "</g>\n",
-       "<!-- Atom_3_0_Position -->\n",
-       "<g id=\"node87\" class=\"node\">\n",
-       "<title>Atom_3_0_Position</title>\n",
-       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"7523.74,-199.5 7434.24,-199.5 7434.24,-163.5 7523.74,-163.5 7523.74,-199.5\"/>\n",
-       "<text text-anchor=\"middle\" x=\"7478.99\" y=\"-178.78\" font-family=\"Times,serif\" font-size=\"8.00\">Atom_3_0_Position</text>\n",
+       "<!-- sample_3_LatticeAngle&#45;&gt;cc2f0150&#45;fd9a&#45;4550&#45;86c8&#45;a1e6c3c9a861 -->\n",
+       "<g id=\"edge57\" class=\"edge\">\n",
+       "<title>sample_3_LatticeAngle&#45;&gt;cc2f0150&#45;fd9a&#45;4550&#45;86c8&#45;a1e6c3c9a861</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M4386.84,-362.87C4396.65,-367.64 4406.23,-373.61 4413.99,-381 4419.05,-385.82 4423.11,-392.05 4426.29,-398.32\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"4423.01,-399.54 4430.24,-407.28 4429.41,-396.72 4423.01,-399.54\"/>\n",
+       "<text text-anchor=\"middle\" x=\"4464.37\" y=\"-383.15\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasAngle_alpha</text>\n",
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-       "<!-- Atom_3_0_Position&#45;&gt;cmso.PositionVector -->\n",
-       "<g id=\"edge84\" class=\"edge\">\n",
-       "<title>Atom_3_0_Position&#45;&gt;cmso.PositionVector</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M7434.01,-194.5C7425.74,-196.4 7417.14,-198.17 7408.99,-199.5 7315.99,-214.66 7290.25,-199.57 7197.74,-217.5 7183.25,-220.31 7180.58,-224.96 7165.99,-227.25 6877.41,-272.56 6145.49,-201.57 5838.49,-245.19\"/>\n",
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-       "<text text-anchor=\"middle\" x=\"7206.62\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">type</text>\n",
+       "<!-- 33c62d81&#45;acda&#45;42e1&#45;95e3&#45;8b1300cb629d -->\n",
+       "<g id=\"node107\" class=\"node\">\n",
+       "<title>33c62d81&#45;acda&#45;42e1&#45;95e3&#45;8b1300cb629d</title>\n",
+       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"4206.64,-444.75 4161.07,-444.75 4149.34,-408.75 4194.92,-408.75 4206.64,-444.75\"/>\n",
+       "<text text-anchor=\"middle\" x=\"4177.99\" y=\"-424.02\" font-family=\"Times,serif\" font-size=\"8.00\">90.0</text>\n",
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-       "<!-- d13faeac&#45;234c&#45;4324&#45;ac11&#45;95e7f9ab3791 -->\n",
-       "<g id=\"node88\" class=\"node\">\n",
-       "<title>d13faeac&#45;234c&#45;4324&#45;ac11&#45;95e7f9ab3791</title>\n",
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-       "<text text-anchor=\"middle\" x=\"7481.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">0.0</text>\n",
+       "<!-- sample_3_LatticeAngle&#45;&gt;33c62d81&#45;acda&#45;42e1&#45;95e3&#45;8b1300cb629d -->\n",
+       "<g id=\"edge82\" class=\"edge\">\n",
+       "<title>sample_3_LatticeAngle&#45;&gt;33c62d81&#45;acda&#45;42e1&#45;95e3&#45;8b1300cb629d</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M4279.43,-351.16C4240.11,-356.18 4191.42,-365.39 4178.74,-381 4175.04,-385.56 4173.46,-391.32 4173.07,-397.19\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"4169.55,-396.94 4173.48,-406.78 4176.55,-396.64 4169.55,-396.94\"/>\n",
+       "<text text-anchor=\"middle\" x=\"4225.12\" y=\"-383.15\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasAngle_gamma</text>\n",
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-       "<!-- Atom_3_0_Position&#45;&gt;d13faeac&#45;234c&#45;4324&#45;ac11&#45;95e7f9ab3791 -->\n",
-       "<g id=\"edge67\" class=\"edge\">\n",
-       "<title>Atom_3_0_Position&#45;&gt;d13faeac&#45;234c&#45;4324&#45;ac11&#45;95e7f9ab3791</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M7479.64,-199.8C7480.02,-209.84 7480.51,-222.71 7480.94,-234.16\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"7477.47,-234.12 7481.34,-243.98 7484.46,-233.85 7477.47,-234.12\"/>\n",
-       "<text text-anchor=\"middle\" x=\"7525.99\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasComponent_z</text>\n",
+       "<!-- 6c79f564&#45;6ad6&#45;4fb8&#45;99f8&#45;30384e794b40 -->\n",
+       "<g id=\"node145\" class=\"node\">\n",
+       "<title>6c79f564&#45;6ad6&#45;4fb8&#45;99f8&#45;30384e794b40</title>\n",
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+       "<text text-anchor=\"middle\" x=\"4332.99\" y=\"-424.02\" font-family=\"Times,serif\" font-size=\"8.00\">90.0</text>\n",
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-       "<!-- b32aaa7a&#45;c24d&#45;4251&#45;a64a&#45;f2eebe0214bb -->\n",
-       "<g id=\"node137\" class=\"node\">\n",
-       "<title>b32aaa7a&#45;c24d&#45;4251&#45;a64a&#45;f2eebe0214bb</title>\n",
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-       "<text text-anchor=\"middle\" x=\"7594.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">0.0</text>\n",
+       "<!-- sample_3_LatticeAngle&#45;&gt;6c79f564&#45;6ad6&#45;4fb8&#45;99f8&#45;30384e794b40 -->\n",
+       "<g id=\"edge157\" class=\"edge\">\n",
+       "<title>sample_3_LatticeAngle&#45;&gt;6c79f564&#45;6ad6&#45;4fb8&#45;99f8&#45;30384e794b40</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M4332.99,-363.3C4332.99,-373.23 4332.99,-385.94 4332.99,-397.3\"/>\n",
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+       "<text text-anchor=\"middle\" x=\"4373.12\" y=\"-383.15\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasAngle_beta</text>\n",
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-       "<!-- Atom_3_0_Position&#45;&gt;b32aaa7a&#45;c24d&#45;4251&#45;a64a&#45;f2eebe0214bb -->\n",
-       "<g id=\"edge115\" class=\"edge\">\n",
-       "<title>Atom_3_0_Position&#45;&gt;b32aaa7a&#45;c24d&#45;4251&#45;a64a&#45;f2eebe0214bb</title>\n",
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-       "<text text-anchor=\"middle\" x=\"7625.99\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasComponent_x</text>\n",
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-       "<g id=\"node216\" class=\"node\">\n",
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-       "<g id=\"edge247\" class=\"edge\">\n",
-       "<title>Atom_3_0_Position&#45;&gt;188d1e2d&#45;0447&#45;43bb&#45;b531&#45;0923318910ab</title>\n",
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-       "<text text-anchor=\"middle\" x=\"7780.99\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasComponent_y</text>\n",
-       "</g>\n",
-       "<!-- Atom_3_3 -->\n",
-       "<g id=\"node91\" class=\"node\">\n",
-       "<title>Atom_3_3</title>\n",
-       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"6876.49,-117.75 6821.49,-117.75 6821.49,-81.75 6876.49,-81.75 6876.49,-117.75\"/>\n",
-       "<text text-anchor=\"middle\" x=\"6848.99\" y=\"-97.03\" font-family=\"Times,serif\" font-size=\"8.00\">Atom_3_3</text>\n",
+       "<!-- sample_2_SimulationCell&#45;&gt;sample_2_SimulationCellAngle -->\n",
+       "<g id=\"edge58\" class=\"edge\">\n",
+       "<title>sample_2_SimulationCell&#45;&gt;sample_2_SimulationCellAngle</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M7262.98,-115.77C7266.69,-116.51 7270.39,-117.18 7273.99,-117.75 7387.96,-135.81 7418.99,-117.91 7532.99,-135.75 7570.11,-141.56 7610.76,-151.23 7644.21,-160.1\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"7643.24,-163.46 7653.8,-162.67 7645.05,-156.7 7643.24,-163.46\"/>\n",
+       "<text text-anchor=\"middle\" x=\"7612.62\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasAngle</text>\n",
        "</g>\n",
-       "<!-- Atom_3_3&#45;&gt;cmso.Atom -->\n",
-       "<g id=\"edge132\" class=\"edge\">\n",
-       "<title>Atom_3_3&#45;&gt;cmso.Atom</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M6821.15,-102.41C6719.65,-108.45 6359.85,-129.73 6062.99,-145.5 5900.8,-154.12 5857.79,-134.45 5697.99,-163.5 5693.88,-164.25 5689.65,-165.23 5685.46,-166.34\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"5684.82,-163.17 5676.19,-169.32 5686.77,-169.89 5684.82,-163.17\"/>\n",
-       "<text text-anchor=\"middle\" x=\"6244.62\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">type</text>\n",
+       "<!-- sample_2_SimulationCell&#45;&gt;sample_2_SimulationCellVector_3 -->\n",
+       "<g id=\"edge90\" class=\"edge\">\n",
+       "<title>sample_2_SimulationCell&#45;&gt;sample_2_SimulationCellVector_3</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M7149,-100.4C7105.76,-102.43 7046.18,-110.3 7000.49,-135.75 6992.22,-140.36 6984.82,-147.38 6978.72,-154.51\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"6976.08,-152.2 6972.66,-162.22 6981.59,-156.52 6976.08,-152.2\"/>\n",
+       "<text text-anchor=\"middle\" x=\"7030.74\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasVector</text>\n",
        "</g>\n",
-       "<!-- Atom_3_3_Element -->\n",
-       "<g id=\"node92\" class=\"node\">\n",
-       "<title>Atom_3_3_Element</title>\n",
-       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"6802.87,-199.5 6711.12,-199.5 6711.12,-163.5 6802.87,-163.5 6802.87,-199.5\"/>\n",
-       "<text text-anchor=\"middle\" x=\"6756.99\" y=\"-178.78\" font-family=\"Times,serif\" font-size=\"8.00\">Atom_3_3_Element</text>\n",
+       "<!-- sample_2_SimulationCell&#45;&gt;sample_2_SimulationCellLength -->\n",
+       "<g id=\"edge137\" class=\"edge\">\n",
+       "<title>sample_2_SimulationCell&#45;&gt;sample_2_SimulationCellLength</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M7188.2,-118.05C7177.02,-128.92 7162.42,-143.13 7149.96,-155.24\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"7147.56,-152.69 7142.84,-162.17 7152.44,-157.71 7147.56,-152.69\"/>\n",
+       "<text text-anchor=\"middle\" x=\"7201.24\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasLength</text>\n",
        "</g>\n",
-       "<!-- Atom_3_3&#45;&gt;Atom_3_3_Element -->\n",
-       "<g id=\"edge71\" class=\"edge\">\n",
-       "<title>Atom_3_3&#45;&gt;Atom_3_3_Element</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M6821.1,-108.75C6806.1,-114.27 6788.23,-122.95 6775.99,-135.75 6771.36,-140.6 6767.77,-146.75 6765.03,-152.92\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"6761.44,-151.52 6761.17,-162.11 6767.98,-154 6761.44,-151.52\"/>\n",
-       "<text text-anchor=\"middle\" x=\"6810.49\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasElement</text>\n",
+       "<!-- sample_2_SimulationCell&#45;&gt;sample_2_SimulationCellVector_1 -->\n",
+       "<g id=\"edge127\" class=\"edge\">\n",
+       "<title>sample_2_SimulationCell&#45;&gt;sample_2_SimulationCellVector_1</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M7223.57,-118.05C7234.61,-128.92 7249.03,-143.13 7261.34,-155.24\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"7258.79,-157.65 7268.37,-162.17 7263.7,-152.66 7258.79,-157.65\"/>\n",
+       "<text text-anchor=\"middle\" x=\"7281.74\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasVector</text>\n",
        "</g>\n",
-       "<!-- Atom_3_3_Position -->\n",
-       "<g id=\"node121\" class=\"node\">\n",
-       "<title>Atom_3_3_Position</title>\n",
-       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"7076.74,-199.5 6987.24,-199.5 6987.24,-163.5 7076.74,-163.5 7076.74,-199.5\"/>\n",
-       "<text text-anchor=\"middle\" x=\"7031.99\" y=\"-178.78\" font-family=\"Times,serif\" font-size=\"8.00\">Atom_3_3_Position</text>\n",
+       "<!-- sample_2_SimulationCell&#45;&gt;sample_2_SimulationCellVector_2 -->\n",
+       "<g id=\"edge126\" class=\"edge\">\n",
+       "<title>sample_2_SimulationCell&#45;&gt;sample_2_SimulationCellVector_2</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M7261.93,-118.24C7279.57,-123.79 7299.11,-129.99 7316.99,-135.75 7340.79,-143.42 7366.88,-151.97 7389.78,-159.52\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"7388.38,-162.74 7398.97,-162.55 7390.57,-156.09 7388.38,-162.74\"/>\n",
+       "<text text-anchor=\"middle\" x=\"7376.74\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasVector</text>\n",
        "</g>\n",
-       "<!-- Atom_3_3&#45;&gt;Atom_3_3_Position -->\n",
-       "<g id=\"edge179\" class=\"edge\">\n",
-       "<title>Atom_3_3&#45;&gt;Atom_3_3_Position</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M6876.8,-99.79C6911.54,-100.02 6971.13,-105.34 7009.99,-135.75 7015.72,-140.23 7020.06,-146.59 7023.3,-153.11\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"7020.45,-154.37 7027.54,-162.25 7026.91,-151.67 7020.45,-154.37\"/>\n",
-       "<text text-anchor=\"middle\" x=\"7065.12\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasPositionVector</text>\n",
-       "</g>\n",
-       "<!-- f0f4064a&#45;a41c&#45;448c&#45;bf23&#45;4a227c9b2d74 -->\n",
-       "<g id=\"node240\" class=\"node\">\n",
-       "<title>f0f4064a&#45;a41c&#45;448c&#45;bf23&#45;4a227c9b2d74</title>\n",
-       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"6876.98,-199.5 6832.46,-199.5 6821,-163.5 6865.53,-163.5 6876.98,-199.5\"/>\n",
-       "<text text-anchor=\"middle\" x=\"6848.99\" y=\"-178.78\" font-family=\"Times,serif\" font-size=\"8.00\">12</text>\n",
-       "</g>\n",
-       "<!-- Atom_3_3&#45;&gt;f0f4064a&#45;a41c&#45;448c&#45;bf23&#45;4a227c9b2d74 -->\n",
-       "<g id=\"edge293\" class=\"edge\">\n",
-       "<title>Atom_3_3&#45;&gt;f0f4064a&#45;a41c&#45;448c&#45;bf23&#45;4a227c9b2d74</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M6848.99,-118.05C6848.99,-128.09 6848.99,-140.96 6848.99,-152.41\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"6845.49,-152.23 6848.99,-162.23 6852.49,-152.23 6845.49,-152.23\"/>\n",
-       "<text text-anchor=\"middle\" x=\"6908.99\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasCoordinationNumber</text>\n",
-       "</g>\n",
-       "<!-- Atom_3_3_Element&#45;&gt;cmso.Element -->\n",
-       "<g id=\"edge310\" class=\"edge\">\n",
-       "<title>Atom_3_3_Element&#45;&gt;cmso.Element</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M6710.7,-186.53C6667.76,-190.2 6602.09,-195.61 6544.99,-199.5 6473.66,-204.36 6292.7,-198.58 6223.74,-217.5 6214.68,-219.98 6214.08,-224.89 6204.99,-227.25 6075.77,-260.85 5740.34,-220.7 5591.43,-245.55\"/>\n",
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-       "<g id=\"node186\" class=\"node\">\n",
-       "<title>40d5a17f&#45;3a05&#45;40d6&#45;bfef&#45;eea7a57d170b</title>\n",
-       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"6914.98,-281.25 6870.46,-281.25 6859,-245.25 6903.53,-245.25 6914.98,-281.25\"/>\n",
-       "<text text-anchor=\"middle\" x=\"6886.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">Ni</text>\n",
-       "</g>\n",
-       "<!-- Atom_3_3_Element&#45;&gt;40d5a17f&#45;3a05&#45;40d6&#45;bfef&#45;eea7a57d170b -->\n",
-       "<g id=\"edge194\" class=\"edge\">\n",
-       "<title>Atom_3_3_Element&#45;&gt;40d5a17f&#45;3a05&#45;40d6&#45;bfef&#45;eea7a57d170b</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M6803.24,-197.05C6831.97,-206.16 6863.7,-216.38 6864.99,-217.5 6870.4,-222.19 6874.61,-228.51 6877.84,-234.93\"/>\n",
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-       "<text text-anchor=\"middle\" x=\"6905.62\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasSymbol</text>\n",
+       "<!-- sample_2_SimulationCell&#45;&gt;cmso.SimulationCell -->\n",
+       "<g id=\"edge68\" class=\"edge\">\n",
+       "<title>sample_2_SimulationCell&#45;&gt;cmso.SimulationCell</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M7148.92,-102.26C6914.47,-108.47 6036.34,-131.95 6007.74,-135.75 5989.28,-138.2 5985.48,-143.24 5966.99,-145.5 5744.53,-172.74 4191.39,-130.92 3922.13,-163.65\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"3921.92,-160.14 3912.48,-164.95 3922.86,-167.08 3921.92,-160.14\"/>\n",
+       "<text text-anchor=\"middle\" x=\"6015.62\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">type</text>\n",
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-       "<!-- Atom_3_1_Position&#45;&gt;cmso.PositionVector -->\n",
-       "<g id=\"edge74\" class=\"edge\">\n",
-       "<title>Atom_3_1_Position&#45;&gt;cmso.PositionVector</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M8489.06,-185.28C8399.33,-191.02 8200.81,-204.72 8133.74,-217.5 8118.82,-220.34 8116.01,-225 8100.99,-227.25 7855.25,-264.05 6129.42,-208.74 5838.26,-245.31\"/>\n",
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-       "<text text-anchor=\"middle\" x=\"8142.62\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">type</text>\n",
+       "<!-- c1d8fd24&#45;ae82&#45;4300&#45;bebd&#45;6d711eda408c -->\n",
+       "<g id=\"node136\" class=\"node\">\n",
+       "<title>c1d8fd24&#45;ae82&#45;4300&#45;bebd&#45;6d711eda408c</title>\n",
+       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"7628.91,-199.5 7562.23,-199.5 7545.07,-163.5 7611.76,-163.5 7628.91,-199.5\"/>\n",
+       "<text text-anchor=\"middle\" x=\"7586.99\" y=\"-178.78\" font-family=\"Times,serif\" font-size=\"8.00\">1280.82</text>\n",
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-       "<text text-anchor=\"middle\" x=\"8533.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">1.785</text>\n",
+       "<!-- sample_2_SimulationCell&#45;&gt;c1d8fd24&#45;ae82&#45;4300&#45;bebd&#45;6d711eda408c -->\n",
+       "<g id=\"edge141\" class=\"edge\">\n",
+       "<title>sample_2_SimulationCell&#45;&gt;c1d8fd24&#45;ae82&#45;4300&#45;bebd&#45;6d711eda408c</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M7263.02,-115.51C7266.73,-116.32 7270.41,-117.07 7273.99,-117.75 7334.76,-129.27 7351.08,-124.99 7411.99,-135.75 7464.35,-145 7479.8,-148.03 7535.1,-163.39\"/>\n",
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+       "<text text-anchor=\"middle\" x=\"7496.62\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasVolume</text>\n",
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-       "<title>Atom_3_1_Position&#45;&gt;72d5bb6a&#45;d28e&#45;40b7&#45;a962&#45;d1f266e7055f</title>\n",
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-       "<title>Atom_3_1_Position&#45;&gt;d52821a4&#45;7b43&#45;4e71&#45;b820&#45;1331a7d9c858</title>\n",
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+       "<title>CHEBI.28984</title>\n",
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+       "<!-- sample_3_LatticeParameter&#45;&gt;eef096cb&#45;590f&#45;44d1&#45;84fe&#45;3da1a55b903c -->\n",
+       "<g id=\"edge159\" class=\"edge\">\n",
+       "<title>sample_3_LatticeParameter&#45;&gt;eef096cb&#45;590f&#45;44d1&#45;84fe&#45;3da1a55b903c</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M4676.37,-349.6C4645.19,-353.8 4608.11,-362.64 4579.24,-381 4571.98,-385.62 4565.66,-392.35 4560.5,-399.2\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"4557.8,-396.94 4555.05,-407.17 4563.58,-400.89 4557.8,-396.94\"/>\n",
+       "<text text-anchor=\"middle\" x=\"4616.37\" y=\"-383.15\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasLength_y</text>\n",
        "</g>\n",
-       "<!-- Sample_1&#45;&gt;Atom_1_0 -->\n",
-       "<g id=\"edge77\" class=\"edge\">\n",
-       "<title>Sample_1&#45;&gt;Atom_1_0</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M11871.51,-25.66C11812.84,-39.88 11675.27,-73.23 11608.16,-89.5\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"11607.52,-86.29 11598.63,-92.05 11609.17,-93.1 11607.52,-86.29\"/>\n",
-       "<text text-anchor=\"middle\" x=\"11783.49\" y=\"-56.15\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasAtom</text>\n",
+       "<!-- 5dbf2e24&#45;f496&#45;44b7&#45;9c95&#45;0d981306f900 -->\n",
+       "<g id=\"node175\" class=\"node\">\n",
+       "<title>5dbf2e24&#45;f496&#45;44b7&#45;9c95&#45;0d981306f900</title>\n",
+       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"4668.64,-444.75 4623.07,-444.75 4611.34,-408.75 4656.92,-408.75 4668.64,-444.75\"/>\n",
+       "<text text-anchor=\"middle\" x=\"4639.99\" y=\"-424.02\" font-family=\"Times,serif\" font-size=\"8.00\">3.57</text>\n",
        "</g>\n",
-       "<!-- SimulationCell_1 -->\n",
-       "<g id=\"node108\" class=\"node\">\n",
-       "<title>SimulationCell_1</title>\n",
-       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"12380.99,-117.75 12298.99,-117.75 12298.99,-81.75 12380.99,-81.75 12380.99,-117.75\"/>\n",
-       "<text text-anchor=\"middle\" x=\"12339.99\" y=\"-97.03\" font-family=\"Times,serif\" font-size=\"8.00\">SimulationCell_1</text>\n",
+       "<!-- sample_3_LatticeParameter&#45;&gt;5dbf2e24&#45;f496&#45;44b7&#45;9c95&#45;0d981306f900 -->\n",
+       "<g id=\"edge212\" class=\"edge\">\n",
+       "<title>sample_3_LatticeParameter&#45;&gt;5dbf2e24&#45;f496&#45;44b7&#45;9c95&#45;0d981306f900</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M4688.75,-363.49C4679.56,-368.21 4670.58,-374 4663.24,-381 4658.21,-385.8 4654.06,-391.93 4650.74,-398.11\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"4647.67,-396.4 4646.55,-406.94 4654,-399.4 4647.67,-396.4\"/>\n",
+       "<text text-anchor=\"middle\" x=\"4700.37\" y=\"-383.15\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasLength_x</text>\n",
        "</g>\n",
-       "<!-- Sample_1&#45;&gt;SimulationCell_1 -->\n",
-       "<g id=\"edge154\" class=\"edge\">\n",
-       "<title>Sample_1&#45;&gt;SimulationCell_1</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M11926.58,-23.99C11998.77,-37.04 12194.15,-72.38 12288.12,-89.37\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"12287.33,-92.96 12297.8,-91.3 12288.58,-86.08 12287.33,-92.96\"/>\n",
-       "<text text-anchor=\"middle\" x=\"12191.49\" y=\"-56.15\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasSimulationCell</text>\n",
+       "<!-- CHEBI.18248&#45;&gt;cmso.Element -->\n",
+       "<g id=\"edge64\" class=\"edge\">\n",
+       "<title>CHEBI.18248&#45;&gt;cmso.Element</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M2883.53,-197.5C2886.36,-198.29 2889.2,-198.98 2891.99,-199.5 3091.3,-236.91 4515.29,-196.52 4716.99,-217.5 4738.97,-219.79 4743.79,-224.73 4765.74,-227.25 4893.02,-241.86 5215.93,-222.38 5341.99,-245.25 5343,-245.43 5344.01,-245.63 5345.03,-245.85\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"5343.99,-249.19 5354.54,-248.24 5345.7,-242.4 5343.99,-249.19\"/>\n",
+       "<text text-anchor=\"middle\" x=\"4774.62\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">type</text>\n",
        "</g>\n",
-       "<!-- e415c0f7&#45;91aa&#45;42db&#45;9743&#45;cbff977cd455 -->\n",
-       "<g id=\"node131\" class=\"node\">\n",
-       "<title>e415c0f7&#45;91aa&#45;42db&#45;9743&#45;cbff977cd455</title>\n",
-       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"12454.98,-117.75 12410.46,-117.75 12399,-81.75 12443.53,-81.75 12454.98,-117.75\"/>\n",
-       "<text text-anchor=\"middle\" x=\"12426.99\" y=\"-97.03\" font-family=\"Times,serif\" font-size=\"8.00\">2</text>\n",
+       "<!-- b2f0d9e3&#45;3434&#45;4de6&#45;9842&#45;7bf7f5c1118d -->\n",
+       "<g id=\"node95\" class=\"node\">\n",
+       "<title>b2f0d9e3&#45;3434&#45;4de6&#45;9842&#45;7bf7f5c1118d</title>\n",
+       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"2311.98,-281.25 2267.46,-281.25 2256,-245.25 2300.53,-245.25 2311.98,-281.25\"/>\n",
+       "<text text-anchor=\"middle\" x=\"2283.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">1.0</text>\n",
        "</g>\n",
-       "<!-- Sample_1&#45;&gt;e415c0f7&#45;91aa&#45;42db&#45;9743&#45;cbff977cd455 -->\n",
-       "<g id=\"edge109\" class=\"edge\">\n",
-       "<title>Sample_1&#45;&gt;e415c0f7&#45;91aa&#45;42db&#45;9743&#45;cbff977cd455</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M11926.21,-21C11984.37,-25.44 12124.99,-37.09 12241.99,-54 12304.99,-63.1 12324.35,-61.64 12389.42,-82.04\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"12388.22,-85.65 12398.81,-85.36 12390.35,-78.98 12388.22,-85.65\"/>\n",
-       "<text text-anchor=\"middle\" x=\"12365.74\" y=\"-56.15\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasNumberOfAtoms</text>\n",
-       "</g>\n",
-       "<!-- Sample_1&#45;&gt;cmso.AtomicScaleSample -->\n",
-       "<g id=\"edge248\" class=\"edge\">\n",
-       "<title>Sample_1&#45;&gt;cmso.AtomicScaleSample</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M11871.48,-18.96C11516.32,-18.45 7840.29,-14.17 7737.74,-54 7727.02,-58.16 7717.15,-65.8 7709.08,-73.6\"/>\n",
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-       "<text text-anchor=\"middle\" x=\"7746.62\" y=\"-56.15\" font-family=\"Times,serif\" font-size=\"8.00\">type</text>\n",
-       "</g>\n",
-       "<!-- Atom_1_0&#45;&gt;cmso.Atom -->\n",
-       "<g id=\"edge136\" class=\"edge\">\n",
-       "<title>Atom_1_0&#45;&gt;cmso.Atom</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M11542.08,-101.86C11463.13,-104.95 11231.49,-113.71 11038.99,-117.75 10838.67,-121.96 9435.27,-117.43 9235.74,-135.75 9210.69,-138.05 9205.05,-143.26 9179.99,-145.5 8987.31,-162.72 5889.04,-133.1 5697.99,-163.5 5693.87,-164.16 5689.63,-165.07 5685.43,-166.15\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"5684.81,-162.97 5676.15,-169.08 5686.73,-169.7 5684.81,-162.97\"/>\n",
-       "<text text-anchor=\"middle\" x=\"9244.62\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">type</text>\n",
+       "<!-- CHEBI.18248&#45;&gt;b2f0d9e3&#45;3434&#45;4de6&#45;9842&#45;7bf7f5c1118d -->\n",
+       "<g id=\"edge69\" class=\"edge\">\n",
+       "<title>CHEBI.18248&#45;&gt;b2f0d9e3&#45;3434&#45;4de6&#45;9842&#45;7bf7f5c1118d</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M2810.44,-197.42C2807.61,-198.23 2804.78,-198.94 2801.99,-199.5 2747.14,-210.53 2343.48,-183.9 2298.74,-217.5 2293.29,-221.59 2289.83,-227.76 2287.64,-234.21\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"2284.32,-233.03 2285.37,-243.57 2291.13,-234.67 2284.32,-233.03\"/>\n",
+       "<text text-anchor=\"middle\" x=\"2343.62\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasElementRatio</text>\n",
        "</g>\n",
-       "<!-- Atom_1_0_Position -->\n",
-       "<g id=\"node109\" class=\"node\">\n",
-       "<title>Atom_1_0_Position</title>\n",
-       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"11623.74,-199.5 11534.24,-199.5 11534.24,-163.5 11623.74,-163.5 11623.74,-199.5\"/>\n",
-       "<text text-anchor=\"middle\" x=\"11578.99\" y=\"-178.78\" font-family=\"Times,serif\" font-size=\"8.00\">Atom_1_0_Position</text>\n",
-       "</g>\n",
-       "<!-- Atom_1_0&#45;&gt;Atom_1_0_Position -->\n",
-       "<g id=\"edge219\" class=\"edge\">\n",
-       "<title>Atom_1_0&#45;&gt;Atom_1_0_Position</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M11569.42,-118.24C11569.37,-126.53 11569.63,-136.56 11570.74,-145.5 11571.03,-147.77 11571.4,-150.12 11571.83,-152.46\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"11568.61,-153.15 11574.14,-162.19 11575.45,-151.67 11568.61,-153.15\"/>\n",
-       "<text text-anchor=\"middle\" x=\"11617.12\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasPositionVector</text>\n",
-       "</g>\n",
-       "<!-- Atom_1_0_Element -->\n",
-       "<g id=\"node209\" class=\"node\">\n",
-       "<title>Atom_1_0_Element</title>\n",
-       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"11496.87,-199.5 11405.12,-199.5 11405.12,-163.5 11496.87,-163.5 11496.87,-199.5\"/>\n",
-       "<text text-anchor=\"middle\" x=\"11450.99\" y=\"-178.78\" font-family=\"Times,serif\" font-size=\"8.00\">Atom_1_0_Element</text>\n",
-       "</g>\n",
-       "<!-- Atom_1_0&#45;&gt;Atom_1_0_Element -->\n",
-       "<g id=\"edge239\" class=\"edge\">\n",
-       "<title>Atom_1_0&#45;&gt;Atom_1_0_Element</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M11542.14,-111.56C11528.01,-117.67 11510.94,-126.02 11496.99,-135.75 11488.67,-141.56 11480.45,-148.89 11473.31,-155.94\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"11471.52,-152.79 11467.03,-162.38 11476.53,-157.68 11471.52,-152.79\"/>\n",
-       "<text text-anchor=\"middle\" x=\"11531.49\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasElement</text>\n",
-       "</g>\n",
-       "<!-- 32e58ae6&#45;dcb4&#45;4961&#45;9d16&#45;b267cc70d79c -->\n",
-       "<g id=\"node210\" class=\"node\">\n",
-       "<title>32e58ae6&#45;dcb4&#45;4961&#45;9d16&#45;b267cc70d79c</title>\n",
-       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"11712.98,-199.5 11668.46,-199.5 11657,-163.5 11701.53,-163.5 11712.98,-199.5\"/>\n",
-       "<text text-anchor=\"middle\" x=\"11684.99\" y=\"-178.78\" font-family=\"Times,serif\" font-size=\"8.00\">14</text>\n",
-       "</g>\n",
-       "<!-- Atom_1_0&#45;&gt;32e58ae6&#45;dcb4&#45;4961&#45;9d16&#45;b267cc70d79c -->\n",
-       "<g id=\"edge235\" class=\"edge\">\n",
-       "<title>Atom_1_0&#45;&gt;32e58ae6&#45;dcb4&#45;4961&#45;9d16&#45;b267cc70d79c</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M11597.68,-105.5C11617.85,-110.19 11644.72,-119.17 11662.99,-135.75 11668.29,-140.56 11672.47,-146.93 11675.68,-153.35\"/>\n",
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-       "<text text-anchor=\"middle\" x=\"11730.99\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasCoordinationNumber</text>\n",
-       "</g>\n",
-       "<!-- Atom_3_0&#45;&gt;cmso.Atom -->\n",
-       "<g id=\"edge208\" class=\"edge\">\n",
-       "<title>Atom_3_0&#45;&gt;cmso.Atom</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M7427,-101.73C7331.79,-105.16 7011.73,-117.39 6747.74,-135.75 6699.33,-139.12 6687.45,-142.87 6638.99,-145.5 6430.15,-156.85 5904.31,-129.2 5697.99,-163.5 5693.87,-164.18 5689.64,-165.12 5685.44,-166.21\"/>\n",
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-       "<text text-anchor=\"middle\" x=\"6756.62\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">type</text>\n",
+       "<!-- d2a0dc90&#45;5c22&#45;407d&#45;ab42&#45;38c7b4c8fb21 -->\n",
+       "<g id=\"node130\" class=\"node\">\n",
+       "<title>d2a0dc90&#45;5c22&#45;407d&#45;ab42&#45;38c7b4c8fb21</title>\n",
+       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"2423.98,-281.25 2379.46,-281.25 2368,-245.25 2412.53,-245.25 2423.98,-281.25\"/>\n",
+       "<text text-anchor=\"middle\" x=\"2395.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">Fe</text>\n",
        "</g>\n",
-       "<!-- Atom_3_0&#45;&gt;Atom_3_0_Position -->\n",
-       "<g id=\"edge119\" class=\"edge\">\n",
-       "<title>Atom_3_0&#45;&gt;Atom_3_0_Position</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M7453.04,-118.11C7452.65,-126.55 7453.02,-136.74 7455.74,-145.5 7456.63,-148.34 7457.82,-151.16 7459.2,-153.9\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"7456.69,-155.53 7464.8,-162.34 7462.71,-151.96 7456.69,-155.53\"/>\n",
-       "<text text-anchor=\"middle\" x=\"7502.12\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasPositionVector</text>\n",
+       "<!-- CHEBI.18248&#45;&gt;d2a0dc90&#45;5c22&#45;407d&#45;ab42&#45;38c7b4c8fb21 -->\n",
+       "<g id=\"edge128\" class=\"edge\">\n",
+       "<title>CHEBI.18248&#45;&gt;d2a0dc90&#45;5c22&#45;407d&#45;ab42&#45;38c7b4c8fb21</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M2810.44,-197.39C2807.61,-198.21 2804.77,-198.93 2801.99,-199.5 2757.84,-208.58 2428.17,-185.19 2396.74,-217.5 2392.58,-221.78 2390.85,-227.51 2390.46,-233.45\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"2386.96,-233.48 2391.01,-243.27 2393.95,-233.09 2386.96,-233.48\"/>\n",
+       "<text text-anchor=\"middle\" x=\"2429.62\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasSymbol</text>\n",
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-       "<!-- Atom_3_0_Element -->\n",
-       "<g id=\"node102\" class=\"node\">\n",
-       "<title>Atom_3_0_Element</title>\n",
-       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"7399.87,-199.5 7308.12,-199.5 7308.12,-163.5 7399.87,-163.5 7399.87,-199.5\"/>\n",
-       "<text text-anchor=\"middle\" x=\"7353.99\" y=\"-178.78\" font-family=\"Times,serif\" font-size=\"8.00\">Atom_3_0_Element</text>\n",
+       "<!-- sample_1_SimulationCellVector_1&#45;&gt;cmso.SimulationCellVector -->\n",
+       "<g id=\"edge98\" class=\"edge\">\n",
+       "<title>sample_1_SimulationCellVector_1&#45;&gt;cmso.SimulationCellVector</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M876.1,-198.39C879.09,-198.8 882.07,-199.18 884.99,-199.5 1355.56,-251.22 1479.31,-166.87 1949.99,-217.5 1971.96,-219.86 1976.77,-224.88 1998.74,-227.25 2223.06,-251.44 2784.79,-216.76 3026.9,-245.09\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"3026.32,-248.54 3036.68,-246.3 3027.18,-241.6 3026.32,-248.54\"/>\n",
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-       "<!-- Atom_3_0&#45;&gt;Atom_3_0_Element -->\n",
-       "<g id=\"edge78\" class=\"edge\">\n",
-       "<title>Atom_3_0&#45;&gt;Atom_3_0_Element</title>\n",
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-       "<text text-anchor=\"middle\" x=\"7415.49\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasElement</text>\n",
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-       "<!-- 483d6582&#45;ff11&#45;4598&#45;a4b8&#45;88cc87a034b5 -->\n",
-       "<g id=\"node204\" class=\"node\">\n",
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-       "<!-- Atom_3_0&#45;&gt;483d6582&#45;ff11&#45;4598&#45;a4b8&#45;88cc87a034b5 -->\n",
-       "<g id=\"edge227\" class=\"edge\">\n",
-       "<title>Atom_3_0&#45;&gt;483d6582&#45;ff11&#45;4598&#45;a4b8&#45;88cc87a034b5</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M7482.68,-105.5C7502.85,-110.19 7529.72,-119.17 7547.99,-135.75 7553.29,-140.56 7557.47,-146.93 7560.68,-153.35\"/>\n",
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-       "<!-- Atom_3_0_Element&#45;&gt;cmso.Element -->\n",
-       "<g id=\"edge271\" class=\"edge\">\n",
-       "<title>Atom_3_0_Element&#45;&gt;cmso.Element</title>\n",
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-       "</g>\n",
-       "<!-- 92f581ad&#45;92b6&#45;4174&#45;9025&#45;6ffd96579654 -->\n",
-       "<g id=\"node111\" class=\"node\">\n",
-       "<title>92f581ad&#45;92b6&#45;4174&#45;9025&#45;6ffd96579654</title>\n",
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-       "<text text-anchor=\"middle\" x=\"7353.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">Al</text>\n",
+       "<!-- 3f4564dc&#45;19e8&#45;4aca&#45;b206&#45;698c79942478 -->\n",
+       "<g id=\"node93\" class=\"node\">\n",
+       "<title>3f4564dc&#45;19e8&#45;4aca&#45;b206&#45;698c79942478</title>\n",
+       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"682.98,-281.25 638.46,-281.25 627,-245.25 671.53,-245.25 682.98,-281.25\"/>\n",
+       "<text text-anchor=\"middle\" x=\"654.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">0.0</text>\n",
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-       "<!-- Atom_3_0_Element&#45;&gt;92f581ad&#45;92b6&#45;4174&#45;9025&#45;6ffd96579654 -->\n",
-       "<g id=\"edge89\" class=\"edge\">\n",
-       "<title>Atom_3_0_Element&#45;&gt;92f581ad&#45;92b6&#45;4174&#45;9025&#45;6ffd96579654</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M7353.99,-199.8C7353.99,-209.84 7353.99,-222.71 7353.99,-234.16\"/>\n",
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-       "<text text-anchor=\"middle\" x=\"7386.62\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasSymbol</text>\n",
-       "</g>\n",
-       "<!-- SimulationCell_1&#45;&gt;SimulationCell_1Length -->\n",
-       "<g id=\"edge292\" class=\"edge\">\n",
-       "<title>SimulationCell_1&#45;&gt;SimulationCell_1Length</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M12298.71,-112.26C12251.92,-125.31 12174.99,-146.76 12119.87,-162.13\"/>\n",
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-       "<text text-anchor=\"middle\" x=\"12246.24\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasLength</text>\n",
-       "</g>\n",
-       "<!-- SimulationCell_1&#45;&gt;cmso.SimulationCell -->\n",
-       "<g id=\"edge86\" class=\"edge\">\n",
-       "<title>SimulationCell_1&#45;&gt;cmso.SimulationCell</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M12298.61,-101.92C12186.89,-105.02 11869.81,-113.54 11605.99,-117.75 11377.1,-121.4 9773.93,-117.33 9545.74,-135.75 9541.26,-136.11 9407.1,-156.68 9366.62,-163.68\"/>\n",
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-       "</g>\n",
-       "<!-- SimulationCell_1&#45;&gt;SimulationCell_1Angle -->\n",
-       "<g id=\"edge259\" class=\"edge\">\n",
-       "<title>SimulationCell_1&#45;&gt;SimulationCell_1Angle</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M12339.99,-118.05C12339.99,-128.09 12339.99,-140.96 12339.99,-152.41\"/>\n",
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-       "<text text-anchor=\"middle\" x=\"12369.62\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasAngle</text>\n",
-       "</g>\n",
-       "<!-- SimulationCell_1&#45;&gt;SimulationCell_1Vector03 -->\n",
-       "<g id=\"edge220\" class=\"edge\">\n",
-       "<title>SimulationCell_1&#45;&gt;SimulationCell_1Vector03</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M12381.37,-115.15C12384.28,-116.06 12387.17,-116.94 12389.99,-117.75 12454.41,-136.37 12528.85,-153.82 12581.89,-165.56\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"12581.01,-169.18 12591.53,-167.91 12582.52,-162.34 12581.01,-169.18\"/>\n",
-       "<text text-anchor=\"middle\" x=\"12520.74\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasVector</text>\n",
-       "</g>\n",
-       "<!-- SimulationCell_1&#45;&gt;SimulationCell_1Vector02 -->\n",
-       "<g id=\"edge111\" class=\"edge\">\n",
-       "<title>SimulationCell_1&#45;&gt;SimulationCell_1Vector02</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M12381.26,-115.58C12384.2,-116.38 12387.13,-117.12 12389.99,-117.75 12396.44,-119.16 12764.17,-157.13 12921.17,-173.31\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"12920.34,-176.85 12930.65,-174.39 12921.06,-169.88 12920.34,-176.85\"/>\n",
-       "<text text-anchor=\"middle\" x=\"12670.74\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasVector</text>\n",
+       "<!-- sample_1_SimulationCellVector_1&#45;&gt;3f4564dc&#45;19e8&#45;4aca&#45;b206&#45;698c79942478 -->\n",
+       "<g id=\"edge66\" class=\"edge\">\n",
+       "<title>sample_1_SimulationCellVector_1&#45;&gt;3f4564dc&#45;19e8&#45;4aca&#45;b206&#45;698c79942478</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M727.63,-190.5C708.04,-195.65 688.17,-204.01 672.99,-217.5 668.06,-221.88 664.46,-227.8 661.84,-233.9\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"658.54,-232.75 658.59,-243.34 665.16,-235.02 658.54,-232.75\"/>\n",
+       "<text text-anchor=\"middle\" x=\"717.99\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasComponent_z</text>\n",
        "</g>\n",
-       "<!-- SimulationCell_1Vector01 -->\n",
-       "<g id=\"node158\" class=\"node\">\n",
-       "<title>SimulationCell_1Vector01</title>\n",
-       "<polygon fill=\"#ffe6ff\" stroke=\"#ffe6ff\" points=\"13287.99,-199.5 13169.99,-199.5 13169.99,-163.5 13287.99,-163.5 13287.99,-199.5\"/>\n",
-       "<text text-anchor=\"middle\" x=\"13228.99\" y=\"-178.78\" font-family=\"Times,serif\" font-size=\"8.00\">SimulationCell_1Vector01</text>\n",
-       "</g>\n",
-       "<!-- SimulationCell_1&#45;&gt;SimulationCell_1Vector01 -->\n",
-       "<g id=\"edge283\" class=\"edge\">\n",
-       "<title>SimulationCell_1&#45;&gt;SimulationCell_1Vector01</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M12381.23,-115.73C12384.17,-116.5 12387.11,-117.19 12389.99,-117.75 12528.07,-144.64 12565.64,-126.24 12705.99,-135.75 12863.01,-146.39 12902.24,-149.5 13058.99,-163.5 13091.89,-166.44 13128.34,-170.04 13159.03,-173.17\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"13158.32,-176.71 13168.62,-174.25 13159.03,-169.75 13158.32,-176.71\"/>\n",
-       "<text text-anchor=\"middle\" x=\"12870.74\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasVector</text>\n",
-       "</g>\n",
-       "<!-- c11bd54e&#45;ca01&#45;496e&#45;8f38&#45;98fbc77be09a -->\n",
-       "<g id=\"node234\" class=\"node\">\n",
-       "<title>c11bd54e&#45;ca01&#45;496e&#45;8f38&#45;98fbc77be09a</title>\n",
-       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"13389.91,-199.5 13323.23,-199.5 13306.07,-163.5 13372.76,-163.5 13389.91,-199.5\"/>\n",
-       "<text text-anchor=\"middle\" x=\"13347.99\" y=\"-178.78\" font-family=\"Times,serif\" font-size=\"8.00\">1512.95</text>\n",
-       "</g>\n",
-       "<!-- SimulationCell_1&#45;&gt;c11bd54e&#45;ca01&#45;496e&#45;8f38&#45;98fbc77be09a -->\n",
-       "<g id=\"edge273\" class=\"edge\">\n",
-       "<title>SimulationCell_1&#45;&gt;c11bd54e&#45;ca01&#45;496e&#45;8f38&#45;98fbc77be09a</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M12381.49,-115.87C12384.34,-116.6 12387.2,-117.24 12389.99,-117.75 12502.85,-138.44 12791.42,-129.69 12905.99,-135.75 13076.48,-144.77 13124.22,-130.13 13296.07,-163.67\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"13295.27,-167.28 13305.75,-165.79 13296.63,-160.41 13295.27,-167.28\"/>\n",
-       "<text text-anchor=\"middle\" x=\"13209.62\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasVolume</text>\n",
-       "</g>\n",
-       "<!-- Atom_1_0_Position&#45;&gt;cmso.PositionVector -->\n",
-       "<g id=\"edge302\" class=\"edge\">\n",
-       "<title>Atom_1_0_Position&#45;&gt;cmso.PositionVector</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M11534.08,-194.47C11524.85,-196.5 11515.16,-198.33 11505.99,-199.5 11347.62,-219.71 10945.08,-190.35 10787.74,-217.5 10774.03,-219.87 10771.73,-225.03 10757.99,-227.25 10491.01,-270.38 6202.18,-206.05 5838.4,-245.41\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"5838.22,-242.03 5828.74,-246.76 5839.1,-248.97 5838.22,-242.03\"/>\n",
-       "<text text-anchor=\"middle\" x=\"10796.62\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">type</text>\n",
-       "</g>\n",
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-       "<g id=\"node110\" class=\"node\">\n",
-       "<title>a65391b9&#45;051f&#45;4845&#45;b3c6&#45;b3f83c6c85d6</title>\n",
-       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"11832.98,-281.25 11788.46,-281.25 11777,-245.25 11821.53,-245.25 11832.98,-281.25\"/>\n",
-       "<text text-anchor=\"middle\" x=\"11804.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">0.0</text>\n",
+       "<!-- 966a8636&#45;c992&#45;4eb6&#45;b368&#45;0f9d93df5e2a -->\n",
+       "<g id=\"node148\" class=\"node\">\n",
+       "<title>966a8636&#45;c992&#45;4eb6&#45;b368&#45;0f9d93df5e2a</title>\n",
+       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"795.98,-281.25 751.46,-281.25 740,-245.25 784.53,-245.25 795.98,-281.25\"/>\n",
+       "<text text-anchor=\"middle\" x=\"767.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">0.0</text>\n",
        "</g>\n",
-       "<!-- Atom_1_0_Position&#45;&gt;a65391b9&#45;051f&#45;4845&#45;b3c6&#45;b3f83c6c85d6 -->\n",
-       "<g id=\"edge87\" class=\"edge\">\n",
-       "<title>Atom_1_0_Position&#45;&gt;a65391b9&#45;051f&#45;4845&#45;b3c6&#45;b3f83c6c85d6</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M11624.13,-194.29C11632.06,-196.17 11640.24,-197.99 11647.99,-199.5 11702.65,-210.17 11724.22,-188.88 11771.99,-217.5 11779.56,-222.03 11785.93,-229.04 11791,-236.16\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"11788.37,-237.55 11796.7,-244.09 11794.26,-233.78 11788.37,-237.55\"/>\n",
-       "<text text-anchor=\"middle\" x=\"11828.99\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasComponent_y</text>\n",
+       "<!-- sample_1_SimulationCellVector_1&#45;&gt;966a8636&#45;c992&#45;4eb6&#45;b368&#45;0f9d93df5e2a -->\n",
+       "<g id=\"edge161\" class=\"edge\">\n",
+       "<title>sample_1_SimulationCellVector_1&#45;&gt;966a8636&#45;c992&#45;4eb6&#45;b368&#45;0f9d93df5e2a</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M780.92,-199.88C776.12,-205.01 771.65,-211.01 768.99,-217.5 766.89,-222.62 765.88,-228.36 765.52,-233.97\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"762.02,-233.58 765.54,-243.57 769.02,-233.56 762.02,-233.58\"/>\n",
+       "<text text-anchor=\"middle\" x=\"813.99\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasComponent_y</text>\n",
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-       "<!-- 14a331de&#45;7966&#45;43c0&#45;848b&#45;9dd024ccd5c8 -->\n",
-       "<g id=\"node134\" class=\"node\">\n",
-       "<title>14a331de&#45;7966&#45;43c0&#45;848b&#45;9dd024ccd5c8</title>\n",
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-       "<text text-anchor=\"middle\" x=\"11578.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">0.0</text>\n",
+       "<!-- 2cfa6098&#45;8e57&#45;4791&#45;9465&#45;b347d29e3087 -->\n",
+       "<g id=\"node171\" class=\"node\">\n",
+       "<title>2cfa6098&#45;8e57&#45;4791&#45;9465&#45;b347d29e3087</title>\n",
+       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"909.64,-281.25 864.07,-281.25 852.34,-245.25 897.92,-245.25 909.64,-281.25\"/>\n",
+       "<text text-anchor=\"middle\" x=\"880.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">2.87</text>\n",
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-       "<!-- Atom_1_0_Position&#45;&gt;14a331de&#45;7966&#45;43c0&#45;848b&#45;9dd024ccd5c8 -->\n",
-       "<g id=\"edge112\" class=\"edge\">\n",
-       "<title>Atom_1_0_Position&#45;&gt;14a331de&#45;7966&#45;43c0&#45;848b&#45;9dd024ccd5c8</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M11578.99,-199.8C11578.99,-209.84 11578.99,-222.71 11578.99,-234.16\"/>\n",
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-       "<text text-anchor=\"middle\" x=\"11623.99\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasComponent_z</text>\n",
-       "</g>\n",
-       "<!-- bf311e0e&#45;132d&#45;458d&#45;a728&#45;b862fe2d7ca5 -->\n",
-       "<g id=\"node243\" class=\"node\">\n",
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-       "<g id=\"edge303\" class=\"edge\">\n",
-       "<title>Atom_1_0_Position&#45;&gt;bf311e0e&#45;132d&#45;458d&#45;a728&#45;b862fe2d7ca5</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M11623.86,-192.46C11639.88,-197.77 11657.12,-205.74 11669.99,-217.5 11675.28,-222.33 11679.44,-228.71 11682.66,-235.13\"/>\n",
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-       "<text text-anchor=\"middle\" x=\"11722.99\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasComponent_x</text>\n",
-       "</g>\n",
-       "<!-- UnitCell_2LatticeAngle&#45;&gt;cmso.LatticeAngle -->\n",
-       "<g id=\"edge313\" class=\"edge\">\n",
-       "<title>UnitCell_2LatticeAngle&#45;&gt;cmso.LatticeAngle</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M5821.13,-347.86C5958.99,-352.77 6316.13,-366.71 6367.99,-381 6377.05,-383.49 6377.63,-388.48 6386.74,-390.75 6491.39,-416.85 8220.2,-405.26 8327.99,-408.75 8415.48,-411.58 8516.89,-417.8 8578.2,-421.87\"/>\n",
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-       "<text text-anchor=\"middle\" x=\"6395.62\" y=\"-383.15\" font-family=\"Times,serif\" font-size=\"8.00\">type</text>\n",
-       "</g>\n",
-       "<!-- fa1be7e2&#45;3e4e&#45;4a83&#45;9ccb&#45;a76762451091 -->\n",
-       "<g id=\"node113\" class=\"node\">\n",
-       "<title>fa1be7e2&#45;3e4e&#45;4a83&#45;9ccb&#45;a76762451091</title>\n",
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-       "<text text-anchor=\"middle\" x=\"5658.99\" y=\"-424.02\" font-family=\"Times,serif\" font-size=\"8.00\">90</text>\n",
+       "<!-- sample_1_SimulationCellVector_1&#45;&gt;2cfa6098&#45;8e57&#45;4791&#45;9465&#45;b347d29e3087 -->\n",
+       "<g id=\"edge198\" class=\"edge\">\n",
+       "<title>sample_1_SimulationCellVector_1&#45;&gt;2cfa6098&#45;8e57&#45;4791&#45;9465&#45;b347d29e3087</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M837.2,-199.83C845.02,-204.79 852.82,-210.72 858.99,-217.5 863.62,-222.59 867.5,-228.82 870.64,-235.01\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"867.3,-236.12 874.62,-243.78 873.67,-233.23 867.3,-236.12\"/>\n",
+       "<text text-anchor=\"middle\" x=\"910.99\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasComponent_x</text>\n",
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-       "<!-- UnitCell_2LatticeAngle&#45;&gt;fa1be7e2&#45;3e4e&#45;4a83&#45;9ccb&#45;a76762451091 -->\n",
-       "<g id=\"edge90\" class=\"edge\">\n",
-       "<title>UnitCell_2LatticeAngle&#45;&gt;fa1be7e2&#45;3e4e&#45;4a83&#45;9ccb&#45;a76762451091</title>\n",
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-       "<text text-anchor=\"middle\" x=\"5721.37\" y=\"-383.15\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasAngle_alpha</text>\n",
-       "</g>\n",
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-       "<g id=\"node178\" class=\"node\">\n",
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+       "<g id=\"edge67\" class=\"edge\">\n",
+       "<title>sample_2_Species&#45;&gt;cmso.AtomAttribute</title>\n",
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-       "<text text-anchor=\"middle\" x=\"7016.99\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasComponent_x</text>\n",
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+       "<g id=\"edge133\" class=\"edge\">\n",
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-       "<!-- 7c4f2639&#45;3963&#45;483d&#45;a918&#45;5691d955ddb1 -->\n",
-       "<g id=\"node181\" class=\"node\">\n",
-       "<title>7c4f2639&#45;3963&#45;483d&#45;a918&#45;5691d955ddb1</title>\n",
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-       "<text text-anchor=\"middle\" x=\"9210.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">0.0</text>\n",
-       "</g>\n",
-       "<!-- SimulationCell_3Vector01&#45;&gt;7c4f2639&#45;3963&#45;483d&#45;a918&#45;5691d955ddb1 -->\n",
-       "<g id=\"edge188\" class=\"edge\">\n",
-       "<title>SimulationCell_3Vector01&#45;&gt;7c4f2639&#45;3963&#45;483d&#45;a918&#45;5691d955ddb1</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M9373.72,-197.63C9370.78,-198.29 9367.85,-198.91 9364.99,-199.5 9315.6,-209.62 9297.52,-193.85 9252.99,-217.5 9244.2,-222.17 9236.23,-229.39 9229.65,-236.68\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"9226.33,-234.2 9222.61,-244.12 9231.71,-238.69 9226.33,-234.2\"/>\n",
-       "<text text-anchor=\"middle\" x=\"9297.99\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasComponent_z</text>\n",
+       "<!-- sample_3_Position&#45;&gt;cmso.AtomAttribute -->\n",
+       "<g id=\"edge163\" class=\"edge\">\n",
+       "<title>sample_3_Position&#45;&gt;cmso.AtomAttribute</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M5022.44,-118.05C5004.21,-129.5 4980.1,-144.64 4960.18,-157.15\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"4958.38,-154.14 4951.78,-162.42 4962.11,-160.07 4958.38,-154.14\"/>\n",
+       "<text text-anchor=\"middle\" x=\"5002.62\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">type</text>\n",
        "</g>\n",
-       "<!-- Atom_3_2_Position&#45;&gt;cmso.PositionVector -->\n",
-       "<g id=\"edge102\" class=\"edge\">\n",
-       "<title>Atom_3_2_Position&#45;&gt;cmso.PositionVector</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M6445.96,-190.42C6427.15,-193.54 6405.06,-196.98 6384.99,-199.5 6297.65,-210.48 6274.25,-201.21 6187.74,-217.5 6172.4,-220.39 6169.38,-224.63 6153.99,-227.25 6017.85,-250.46 5977.34,-221.97 5838.39,-245.09\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"5838.03,-241.78 5828.77,-246.93 5839.22,-248.67 5838.03,-241.78\"/>\n",
-       "<text text-anchor=\"middle\" x=\"6196.62\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">type</text>\n",
+       "<!-- f2751d26&#45;eef7&#45;4b31&#45;8618&#45;56fd06ff5d2d -->\n",
+       "<g id=\"node134\" class=\"node\">\n",
+       "<title>f2751d26&#45;eef7&#45;4b31&#45;8618&#45;56fd06ff5d2d</title>\n",
+       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"5649.39,-199.5 5586.72,-199.5 5570.6,-163.5 5633.27,-163.5 5649.39,-199.5\"/>\n",
+       "<text text-anchor=\"middle\" x=\"5609.99\" y=\"-178.78\" font-family=\"Times,serif\" font-size=\"8.00\">Position</text>\n",
        "</g>\n",
-       "<!-- 19ad562d&#45;9122&#45;45e6&#45;822e&#45;1e2e09c3162b -->\n",
-       "<g id=\"node135\" class=\"node\">\n",
-       "<title>19ad562d&#45;9122&#45;45e6&#45;822e&#45;1e2e09c3162b</title>\n",
-       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"6501.07,-281.25 6448.45,-281.25 6434.92,-245.25 6487.53,-245.25 6501.07,-281.25\"/>\n",
-       "<text text-anchor=\"middle\" x=\"6467.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">1.785</text>\n",
+       "<!-- sample_3_Position&#45;&gt;f2751d26&#45;eef7&#45;4b31&#45;8618&#45;56fd06ff5d2d -->\n",
+       "<g id=\"edge136\" class=\"edge\">\n",
+       "<title>sample_3_Position&#45;&gt;f2751d26&#45;eef7&#45;4b31&#45;8618&#45;56fd06ff5d2d</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M5094.03,-115.78C5097.04,-116.53 5100.05,-117.2 5102.99,-117.75 5232.53,-142.07 5268.07,-120.6 5398.99,-135.75 5468.16,-143.75 5488.38,-145.18 5560.38,-163.6\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"5559.37,-166.96 5569.92,-166.07 5561.12,-160.18 5559.37,-166.96\"/>\n",
+       "<text text-anchor=\"middle\" x=\"5504.62\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasName</text>\n",
        "</g>\n",
-       "<!-- Atom_3_2_Position&#45;&gt;19ad562d&#45;9122&#45;45e6&#45;822e&#45;1e2e09c3162b -->\n",
-       "<g id=\"edge113\" class=\"edge\">\n",
-       "<title>Atom_3_2_Position&#45;&gt;19ad562d&#45;9122&#45;45e6&#45;822e&#45;1e2e09c3162b</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M6477.58,-199.76C6474.12,-205.15 6470.85,-211.31 6468.99,-217.5 6467.43,-222.71 6466.64,-228.43 6466.33,-233.97\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"6462.82,-233.89 6466.25,-243.91 6469.82,-233.94 6462.82,-233.89\"/>\n",
-       "<text text-anchor=\"middle\" x=\"6513.99\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasComponent_y</text>\n",
+       "<!-- b230686c&#45;3352&#45;4fd3&#45;9975&#45;f6eb56750672 -->\n",
+       "<g id=\"node142\" class=\"node\">\n",
+       "<title>b230686c&#45;3352&#45;4fd3&#45;9975&#45;f6eb56750672</title>\n",
+       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"5197.48,-199.5 5031.26,-199.5 4988.5,-163.5 5154.72,-163.5 5197.48,-199.5\"/>\n",
+       "<text text-anchor=\"middle\" x=\"5092.99\" y=\"-178.78\" font-family=\"Times,serif\" font-size=\"8.00\">Rdf_Structure_Store/3.Json</text>\n",
        "</g>\n",
-       "<!-- 7a510b1a&#45;0d50&#45;4284&#45;899c&#45;ce1b21aec79e -->\n",
-       "<g id=\"node153\" class=\"node\">\n",
-       "<title>7a510b1a&#45;0d50&#45;4284&#45;899c&#45;ce1b21aec79e</title>\n",
-       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"6608.98,-281.25 6564.46,-281.25 6553,-245.25 6597.53,-245.25 6608.98,-281.25\"/>\n",
-       "<text text-anchor=\"middle\" x=\"6580.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">0.0</text>\n",
+       "<!-- sample_3_Position&#45;&gt;b230686c&#45;3352&#45;4fd3&#45;9975&#45;f6eb56750672 -->\n",
+       "<g id=\"edge153\" class=\"edge\">\n",
+       "<title>sample_3_Position&#45;&gt;b230686c&#45;3352&#45;4fd3&#45;9975&#45;f6eb56750672</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M5059.32,-118.05C5064.84,-128.3 5071.96,-141.5 5078.23,-153.13\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"5075.14,-154.76 5082.96,-161.9 5081.3,-151.43 5075.14,-154.76\"/>\n",
+       "<text text-anchor=\"middle\" x=\"5100.99\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasPath</text>\n",
        "</g>\n",
-       "<!-- Atom_3_2_Position&#45;&gt;7a510b1a&#45;0d50&#45;4284&#45;899c&#45;ce1b21aec79e -->\n",
-       "<g id=\"edge140\" class=\"edge\">\n",
-       "<title>Atom_3_2_Position&#45;&gt;7a510b1a&#45;0d50&#45;4284&#45;899c&#45;ce1b21aec79e</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M6535.15,-199.98C6543.75,-204.77 6552.2,-210.58 6558.99,-217.5 6563.93,-222.53 6567.95,-228.88 6571.14,-235.21\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"6568.21,-236.23 6575.48,-243.94 6574.6,-233.38 6568.21,-236.23\"/>\n",
-       "<text text-anchor=\"middle\" x=\"6611.99\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasComponent_x</text>\n",
+       "<!-- b2d7e7d0&#45;16b4&#45;4cc1&#45;86f3&#45;6a83abbe8ced -->\n",
+       "<g id=\"node154\" class=\"node\">\n",
+       "<title>b2d7e7d0&#45;16b4&#45;4cc1&#45;86f3&#45;6a83abbe8ced</title>\n",
+       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"5552.31,-199.5 5284.55,-199.5 5215.67,-163.5 5483.43,-163.5 5552.31,-199.5\"/>\n",
+       "<text text-anchor=\"middle\" x=\"5383.99\" y=\"-178.78\" font-family=\"Times,serif\" font-size=\"8.00\">C3674434&#45;23Ab&#45;41B3&#45;996E&#45;2F67130Bd404</text>\n",
        "</g>\n",
-       "<!-- b1c972c5&#45;245a&#45;4d7e&#45;96c5&#45;0ae42a2ca40b -->\n",
-       "<g id=\"node160\" class=\"node\">\n",
-       "<title>b1c972c5&#45;245a&#45;4d7e&#45;96c5&#45;0ae42a2ca40b</title>\n",
-       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"6807.07,-281.25 6754.45,-281.25 6740.92,-245.25 6793.53,-245.25 6807.07,-281.25\"/>\n",
-       "<text text-anchor=\"middle\" x=\"6773.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">1.785</text>\n",
+       "<!-- sample_3_Position&#45;&gt;b2d7e7d0&#45;16b4&#45;4cc1&#45;86f3&#45;6a83abbe8ced -->\n",
+       "<g id=\"edge169\" class=\"edge\">\n",
+       "<title>sample_3_Position&#45;&gt;b2d7e7d0&#45;16b4&#45;4cc1&#45;86f3&#45;6a83abbe8ced</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M5094.05,-115.68C5097.06,-116.45 5100.06,-117.15 5102.99,-117.75 5188.27,-135.15 5214.49,-111.2 5297.99,-135.75 5315.05,-140.76 5332.67,-149.26 5347.49,-157.51\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"5345.53,-160.42 5355.94,-162.38 5349.03,-154.35 5345.53,-160.42\"/>\n",
+       "<text text-anchor=\"middle\" x=\"5358.37\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasIdentifier</text>\n",
        "</g>\n",
-       "<!-- Atom_3_2_Position&#45;&gt;b1c972c5&#45;245a&#45;4d7e&#45;96c5&#45;0ae42a2ca40b -->\n",
-       "<g id=\"edge148\" class=\"edge\">\n",
-       "<title>Atom_3_2_Position&#45;&gt;b1c972c5&#45;245a&#45;4d7e&#45;96c5&#45;0ae42a2ca40b</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M6536.15,-183.52C6601.52,-185.83 6718.36,-193.31 6751.99,-217.5 6758.13,-221.92 6762.64,-228.53 6765.92,-235.32\"/>\n",
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-       "<text text-anchor=\"middle\" x=\"6806.99\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasComponent_z</text>\n",
-       "</g>\n",
-       "<!-- DEG -->\n",
-       "<g id=\"node236\" class=\"node\">\n",
-       "<title>DEG</title>\n",
-       "<polygon fill=\"#ffffcc\" stroke=\"#ffffcc\" points=\"9288.99,-608.25 9234.99,-608.25 9234.99,-572.25 9288.99,-572.25 9288.99,-608.25\"/>\n",
-       "<text text-anchor=\"middle\" x=\"9261.99\" y=\"-587.52\" font-family=\"Times,serif\" font-size=\"8.00\">DEG</text>\n",
-       "</g>\n",
-       "<!-- cmso.Angle&#45;&gt;DEG -->\n",
-       "<g id=\"edge285\" class=\"edge\">\n",
-       "<title>cmso.Angle&#45;&gt;DEG</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M9261.99,-526.8C9261.99,-536.84 9261.99,-549.71 9261.99,-561.16\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"9258.49,-560.98 9261.99,-570.98 9265.49,-560.98 9258.49,-560.98\"/>\n",
-       "<text text-anchor=\"middle\" x=\"9288.62\" y=\"-546.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasUnit</text>\n",
-       "</g>\n",
-       "<!-- SimulationCell_2Vector01&#45;&gt;cmso.SimulationCellVector -->\n",
-       "<g id=\"edge289\" class=\"edge\">\n",
-       "<title>SimulationCell_2Vector01&#45;&gt;cmso.SimulationCellVector</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M1018.45,-190.08C1049.79,-193.71 1088.91,-197.65 1123.99,-199.5 1530.43,-220.88 8044.24,-185.66 8449.99,-217.5 8478.13,-219.71 8484.62,-224.85 8512.74,-227.25 8759.39,-248.28 9375.88,-214.39 9640.27,-245.29\"/>\n",
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-       "</g>\n",
-       "<!-- b351149e&#45;fe9a&#45;4541&#45;9d2c&#45;11af1dd1af2f -->\n",
-       "<g id=\"node133\" class=\"node\">\n",
-       "<title>b351149e&#45;fe9a&#45;4541&#45;9d2c&#45;11af1dd1af2f</title>\n",
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-       "<text text-anchor=\"middle\" x=\"732.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">0.0</text>\n",
+       "<!-- cmso.PositionVector -->\n",
+       "<g id=\"node103\" class=\"node\">\n",
+       "<title>cmso.PositionVector</title>\n",
+       "<polygon fill=\"#ffffcc\" stroke=\"#ffffcc\" points=\"3347.37,-281.25 3252.62,-281.25 3252.62,-245.25 3347.37,-245.25 3347.37,-281.25\"/>\n",
+       "<text text-anchor=\"middle\" x=\"3299.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.PositionVector</text>\n",
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-       "<!-- SimulationCell_2Vector01&#45;&gt;b351149e&#45;fe9a&#45;4541&#45;9d2c&#45;11af1dd1af2f -->\n",
-       "<g id=\"edge110\" class=\"edge\">\n",
-       "<title>SimulationCell_2Vector01&#45;&gt;b351149e&#45;fe9a&#45;4541&#45;9d2c&#45;11af1dd1af2f</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M899.96,-188.08C851.03,-193.61 786.05,-203.32 763.99,-217.5 757,-222 751.15,-228.69 746.48,-235.54\"/>\n",
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-       "<text text-anchor=\"middle\" x=\"808.99\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasComponent_y</text>\n",
-       "</g>\n",
-       "<!-- 12cc7b49&#45;c5ef&#45;4d93&#45;bb6d&#45;dd0a93c3cc93 -->\n",
-       "<g id=\"node190\" class=\"node\">\n",
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-       "<!-- SimulationCell_2Vector01&#45;&gt;12cc7b49&#45;c5ef&#45;4d93&#45;bb6d&#45;dd0a93c3cc93 -->\n",
-       "<g id=\"edge198\" class=\"edge\">\n",
-       "<title>SimulationCell_2Vector01&#45;&gt;12cc7b49&#45;c5ef&#45;4d93&#45;bb6d&#45;dd0a93c3cc93</title>\n",
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-       "<g id=\"edge265\" class=\"edge\">\n",
-       "<title>SimulationCell_2Vector01&#45;&gt;12e08f35&#45;aa0b&#45;4566&#45;824b&#45;02e77b181605</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M958.99,-199.8C958.99,-209.84 958.99,-222.71 958.99,-234.16\"/>\n",
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-       "</g>\n",
-       "<!-- Material_3&#45;&gt;CrystalStructure_3 -->\n",
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-       "<title>Material_3&#45;&gt;CrystalStructure_3</title>\n",
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-       "<!-- Material_3&#45;&gt;cmso.CrystallineMaterial -->\n",
-       "<g id=\"edge253\" class=\"edge\">\n",
-       "<title>Material_3&#45;&gt;cmso.CrystallineMaterial</title>\n",
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-       "<text text-anchor=\"middle\" x=\"7792.99\" y=\"-178.78\" font-family=\"Times,serif\" font-size=\"8.00\">Ni=0.75</text>\n",
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-       "<!-- Material_3&#45;&gt;dc749d19&#45;beff&#45;4519&#45;af88&#45;00e8ccebf8ee -->\n",
-       "<g id=\"edge207\" class=\"edge\">\n",
-       "<title>Material_3&#45;&gt;dc749d19&#45;beff&#45;4519&#45;af88&#45;00e8ccebf8ee</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M7792.99,-118.05C7792.99,-128.09 7792.99,-140.96 7792.99,-152.41\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"7789.49,-152.23 7792.99,-162.23 7796.49,-152.23 7789.49,-152.23\"/>\n",
-       "<text text-anchor=\"middle\" x=\"7837.62\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasElementRatio</text>\n",
-       "</g>\n",
-       "<!-- 95db6d6e&#45;57c5&#45;47e4&#45;bea1&#45;ff05cc6516e7 -->\n",
-       "<g id=\"node222\" class=\"node\">\n",
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-       "<text text-anchor=\"middle\" x=\"7904.99\" y=\"-178.78\" font-family=\"Times,serif\" font-size=\"8.00\">Al=0.25</text>\n",
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-       "<!-- Material_3&#45;&gt;95db6d6e&#45;57c5&#45;47e4&#45;bea1&#45;ff05cc6516e7 -->\n",
-       "<g id=\"edge258\" class=\"edge\">\n",
-       "<title>Material_3&#45;&gt;95db6d6e&#45;57c5&#45;47e4&#45;bea1&#45;ff05cc6516e7</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M7822.34,-114.19C7825.25,-115.42 7828.17,-116.63 7830.99,-117.75 7853.73,-126.75 7864.66,-119.56 7882.99,-135.75 7888.36,-140.49 7892.55,-146.84 7895.77,-153.26\"/>\n",
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-       "<text text-anchor=\"middle\" x=\"7935.62\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasElementRatio</text>\n",
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-       "<!-- Atom_2_5_Element&#45;&gt;cmso.Element -->\n",
-       "<g id=\"edge134\" class=\"edge\">\n",
-       "<title>Atom_2_5_Element&#45;&gt;cmso.Element</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M3548,-199.81C3564.83,-209.96 3587.65,-221.83 3609.74,-227.25 3710.87,-252.06 5380.89,-230.65 5483.99,-245.25 5488.71,-245.92 5493.58,-246.85 5498.42,-247.93\"/>\n",
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-       "<!-- ae81a551&#45;baad&#45;46b4&#45;82f9&#45;99d1ff6eaad6 -->\n",
-       "<g id=\"node208\" class=\"node\">\n",
-       "<title>ae81a551&#45;baad&#45;46b4&#45;82f9&#45;99d1ff6eaad6</title>\n",
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-       "<text text-anchor=\"middle\" x=\"3091.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">Si</text>\n",
-       "</g>\n",
-       "<!-- Atom_2_5_Element&#45;&gt;ae81a551&#45;baad&#45;46b4&#45;82f9&#45;99d1ff6eaad6 -->\n",
-       "<g id=\"edge233\" class=\"edge\">\n",
-       "<title>Atom_2_5_Element&#45;&gt;ae81a551&#45;baad&#45;46b4&#45;82f9&#45;99d1ff6eaad6</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M3475.94,-193.46C3464.58,-195.8 3452.39,-198.02 3440.99,-199.5 3402.57,-204.49 3119.66,-189.63 3092.74,-217.5 3088.49,-221.9 3086.79,-227.83 3086.46,-233.93\"/>\n",
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-       "<text text-anchor=\"middle\" x=\"3125.62\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasSymbol</text>\n",
-       "</g>\n",
-       "<!-- Atom_2_0_Element -->\n",
-       "<g id=\"node147\" class=\"node\">\n",
-       "<title>Atom_2_0_Element</title>\n",
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-       "<!-- Atom_2_0_Element&#45;&gt;cmso.Element -->\n",
-       "<g id=\"edge282\" class=\"edge\">\n",
-       "<title>Atom_2_0_Element&#45;&gt;cmso.Element</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M4739.12,-199.05C4771.83,-210.49 4812.96,-224.18 4830.74,-227.25 5116.96,-276.62 5196.8,-201.94 5483.99,-245.25 5488.71,-245.96 5493.57,-246.92 5498.41,-248.02\"/>\n",
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-       "<!-- e82e5fcc&#45;9c51&#45;4dd3&#45;abc5&#45;5b20e8ff4841 -->\n",
-       "<g id=\"node148\" class=\"node\">\n",
-       "<title>e82e5fcc&#45;9c51&#45;4dd3&#45;abc5&#45;5b20e8ff4841</title>\n",
-       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"4598.98,-281.25 4554.46,-281.25 4543,-245.25 4587.53,-245.25 4598.98,-281.25\"/>\n",
-       "<text text-anchor=\"middle\" x=\"4570.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">Si</text>\n",
+       "<!-- cmso.PositionVector&#45;&gt;cmso.Vector -->\n",
+       "<g id=\"edge78\" class=\"edge\">\n",
+       "<title>cmso.PositionVector&#45;&gt;cmso.Vector</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M3347.58,-278.98C3350.42,-279.77 3353.24,-280.54 3355.99,-281.25 3442.76,-303.77 3545.56,-324.67 3602.51,-335.74\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"3601.64,-339.14 3612.12,-337.6 3602.96,-332.27 3601.64,-339.14\"/>\n",
+       "<text text-anchor=\"middle\" x=\"3490.12\" y=\"-301.4\" font-family=\"Times,serif\" font-size=\"8.00\">subClassOf</text>\n",
        "</g>\n",
-       "<!-- Atom_2_0_Element&#45;&gt;e82e5fcc&#45;9c51&#45;4dd3&#45;abc5&#45;5b20e8ff4841 -->\n",
-       "<g id=\"edge135\" class=\"edge\">\n",
-       "<title>Atom_2_0_Element&#45;&gt;e82e5fcc&#45;9c51&#45;4dd3&#45;abc5&#45;5b20e8ff4841</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M4646.67,-183.12C4620.29,-186.14 4589.12,-194.79 4571.74,-217.5 4568.08,-222.28 4566.57,-228.27 4566.24,-234.3\"/>\n",
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-       "<text text-anchor=\"middle\" x=\"4604.62\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasSymbol</text>\n",
+       "<!-- sample_3_ChemicalSpecies&#45;&gt;CHEBI.28112 -->\n",
+       "<g id=\"edge84\" class=\"edge\">\n",
+       "<title>sample_3_ChemicalSpecies&#45;&gt;CHEBI.28112</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M5695.57,-118.18C5688.56,-122.82 5682.26,-128.6 5677.99,-135.75 5674.57,-141.48 5675.32,-147.66 5678.12,-153.54\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"5675.11,-155.33 5683.54,-161.75 5680.95,-151.48 5675.11,-155.33\"/>\n",
+       "<text text-anchor=\"middle\" x=\"5712.49\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasElement</text>\n",
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-       "<!-- SimulationCell_3Angle&#45;&gt;cmso.SimulationCellAngle -->\n",
-       "<g id=\"edge173\" class=\"edge\">\n",
-       "<title>SimulationCell_3Angle&#45;&gt;cmso.SimulationCellAngle</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M9698.02,-193.51C9676.73,-199.08 9652.4,-206.95 9631.74,-217.5 9621.04,-222.97 9610.35,-230.51 9601.13,-237.86\"/>\n",
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-       "<text text-anchor=\"middle\" x=\"9640.62\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">type</text>\n",
+       "<!-- sample_3_ChemicalSpecies&#45;&gt;cmso.ChemicalSpecies -->\n",
+       "<g id=\"edge80\" class=\"edge\">\n",
+       "<title>sample_3_ChemicalSpecies&#45;&gt;cmso.ChemicalSpecies</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M5804.85,-111.48C5824.49,-116.74 5845.6,-124.47 5862.99,-135.75 5870.4,-140.55 5877.15,-147.23 5882.83,-153.96\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"5880.04,-156.08 5888.95,-161.81 5885.56,-151.77 5880.04,-156.08\"/>\n",
+       "<text text-anchor=\"middle\" x=\"5882.62\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">type</text>\n",
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-       "<g id=\"node151\" class=\"node\">\n",
-       "<title>05a0276b&#45;98af&#45;4c8d&#45;91c3&#45;d3eca54f02b8</title>\n",
-       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"9922.64,-281.25 9877.07,-281.25 9865.34,-245.25 9910.92,-245.25 9922.64,-281.25\"/>\n",
-       "<text text-anchor=\"middle\" x=\"9893.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">90.0</text>\n",
+       "<!-- sample_3_ChemicalSpecies&#45;&gt;CHEBI.28984 -->\n",
+       "<g id=\"edge107\" class=\"edge\">\n",
+       "<title>sample_3_ChemicalSpecies&#45;&gt;CHEBI.28984</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M5771.22,-118.06C5777.3,-123.05 5783.06,-129 5786.99,-135.75 5789.86,-140.67 5791.66,-146.39 5792.78,-152.07\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"5789.29,-152.39 5794.02,-161.87 5796.23,-151.51 5789.29,-152.39\"/>\n",
+       "<text text-anchor=\"middle\" x=\"5824.49\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasElement</text>\n",
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-       "<!-- SimulationCell_3Angle&#45;&gt;05a0276b&#45;98af&#45;4c8d&#45;91c3&#45;d3eca54f02b8 -->\n",
-       "<g id=\"edge138\" class=\"edge\">\n",
-       "<title>SimulationCell_3Angle&#45;&gt;05a0276b&#45;98af&#45;4c8d&#45;91c3&#45;d3eca54f02b8</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M9795.98,-199.88C9807.94,-205.05 9820.67,-211.07 9831.99,-217.5 9842.77,-223.62 9853.94,-231.24 9863.78,-238.44\"/>\n",
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-       "<text text-anchor=\"middle\" x=\"9889.37\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasAngle_alpha</text>\n",
-       "</g>\n",
-       "<!-- e1d7fb8a&#45;7517&#45;4590&#45;9a64&#45;aabb6598dbae -->\n",
-       "<g id=\"node182\" class=\"node\">\n",
-       "<title>e1d7fb8a&#45;7517&#45;4590&#45;9a64&#45;aabb6598dbae</title>\n",
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-       "<text text-anchor=\"middle\" x=\"9968.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">90.0</text>\n",
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-       "<!-- SimulationCell_3Angle&#45;&gt;e1d7fb8a&#45;7517&#45;4590&#45;9a64&#45;aabb6598dbae -->\n",
-       "<g id=\"edge189\" class=\"edge\">\n",
-       "<title>SimulationCell_3Angle&#45;&gt;e1d7fb8a&#45;7517&#45;4590&#45;9a64&#45;aabb6598dbae</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M9803.89,-182.92C9864.32,-184.66 9957.75,-191.6 9979.99,-217.5 9984.13,-222.32 9984.64,-228.46 9983.38,-234.63\"/>\n",
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-       "<text text-anchor=\"middle\" x=\"10030.12\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasAngle_gamma</text>\n",
-       "</g>\n",
-       "<!-- 2f818731&#45;deac&#45;418f&#45;9b42&#45;4d37f1c8ec87 -->\n",
-       "<g id=\"node217\" class=\"node\">\n",
-       "<title>2f818731&#45;deac&#45;418f&#45;9b42&#45;4d37f1c8ec87</title>\n",
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-       "<text text-anchor=\"middle\" x=\"9818.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">90.0</text>\n",
-       "</g>\n",
-       "<!-- SimulationCell_3Angle&#45;&gt;2f818731&#45;deac&#45;418f&#45;9b42&#45;4d37f1c8ec87 -->\n",
-       "<g id=\"edge251\" class=\"edge\">\n",
-       "<title>SimulationCell_3Angle&#45;&gt;2f818731&#45;deac&#45;418f&#45;9b42&#45;4d37f1c8ec87</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M9747.3,-199.82C9746.35,-208.65 9746.76,-219.19 9751.74,-227.25 9753.72,-230.44 9767.27,-237.73 9781.7,-244.84\"/>\n",
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-       "<text text-anchor=\"middle\" x=\"9792.12\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasAngle_beta</text>\n",
-       "</g>\n",
-       "<!-- Material_2&#45;&gt;cmso.CrystallineMaterial -->\n",
-       "<g id=\"edge156\" class=\"edge\">\n",
-       "<title>Material_2&#45;&gt;cmso.CrystallineMaterial</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M3900.37,-103.55C3944.06,-107.57 4028.78,-114.82 4100.99,-117.75 4375.55,-128.88 6300.97,-104.69 6573.99,-135.75 6593.79,-138 6597.96,-143.14 6617.74,-145.5 6836.06,-171.54 7388.97,-135.02 7606.99,-163.5 7607.36,-163.55 7607.73,-163.6 7608.1,-163.65\"/>\n",
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-       "</g>\n",
-       "<!-- Material_2&#45;&gt;CrystalStructure_2 -->\n",
-       "<g id=\"edge277\" class=\"edge\">\n",
-       "<title>Material_2&#45;&gt;CrystalStructure_2</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M3841.56,-110.53C3803.2,-123.28 3735.3,-145.84 3686.98,-161.89\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"3686.07,-158.84 3677.68,-165.32 3688.28,-165.49 3686.07,-158.84\"/>\n",
-       "<text text-anchor=\"middle\" x=\"3803.12\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasStructure</text>\n",
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-       "<!-- cc2bcacd&#45;cfd4&#45;4338&#45;83ba&#45;3ef3dfe48cbd -->\n",
-       "<g id=\"node155\" class=\"node\">\n",
-       "<title>cc2bcacd&#45;cfd4&#45;4338&#45;83ba&#45;3ef3dfe48cbd</title>\n",
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-       "<text text-anchor=\"middle\" x=\"3856.99\" y=\"-178.78\" font-family=\"Times,serif\" font-size=\"8.00\">Si=1.0</text>\n",
+       "<!-- sample_2_LatticeAngle&#45;&gt;cmso.LatticeAngle -->\n",
+       "<g id=\"edge178\" class=\"edge\">\n",
+       "<title>sample_2_LatticeAngle&#45;&gt;cmso.LatticeAngle</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M5932.33,-349.54C5870.89,-353.45 5767.23,-359.65 5677.99,-363 5577.9,-366.76 4874.05,-357.26 4776.74,-381 4767.23,-383.32 4766.49,-388.39 4756.99,-390.75 4623.88,-423.87 4276.62,-396.52 4139.99,-408.75 4121.34,-410.42 4101.09,-413.17 4082.95,-415.97\"/>\n",
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-       "<!-- Material_2&#45;&gt;cc2bcacd&#45;cfd4&#45;4338&#45;83ba&#45;3ef3dfe48cbd -->\n",
-       "<g id=\"edge141\" class=\"edge\">\n",
-       "<title>Material_2&#45;&gt;cc2bcacd&#45;cfd4&#45;4338&#45;83ba&#45;3ef3dfe48cbd</title>\n",
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-       "<text text-anchor=\"middle\" x=\"3909.62\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasElementRatio</text>\n",
+       "<!-- 424bd7ad&#45;4413&#45;4ff9&#45;88e0&#45;c9ddd9188e80 -->\n",
+       "<g id=\"node118\" class=\"node\">\n",
+       "<title>424bd7ad&#45;4413&#45;4ff9&#45;88e0&#45;c9ddd9188e80</title>\n",
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+       "<text text-anchor=\"middle\" x=\"6088.99\" y=\"-424.02\" font-family=\"Times,serif\" font-size=\"8.00\">90.0</text>\n",
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-       "<!-- SimulationCell_1Vector01&#45;&gt;cmso.SimulationCellVector -->\n",
-       "<g id=\"edge200\" class=\"edge\">\n",
-       "<title>SimulationCell_1Vector01&#45;&gt;cmso.SimulationCellVector</title>\n",
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-       "<text text-anchor=\"middle\" x=\"5131.49\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasElement</text>\n",
-       "</g>\n",
-       "<!-- 7bc18918&#45;6a85&#45;4916&#45;bf0a&#45;9854a8aa7eaf -->\n",
-       "<g id=\"node241\" class=\"node\">\n",
-       "<title>7bc18918&#45;6a85&#45;4916&#45;bf0a&#45;9854a8aa7eaf</title>\n",
-       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"4994.98,-199.5 4950.46,-199.5 4939,-163.5 4983.53,-163.5 4994.98,-199.5\"/>\n",
-       "<text text-anchor=\"middle\" x=\"4966.99\" y=\"-178.78\" font-family=\"Times,serif\" font-size=\"8.00\">4</text>\n",
-       "</g>\n",
-       "<!-- Atom_2_7&#45;&gt;7bc18918&#45;6a85&#45;4916&#45;bf0a&#45;9854a8aa7eaf -->\n",
-       "<g id=\"edge296\" class=\"edge\">\n",
-       "<title>Atom_2_7&#45;&gt;7bc18918&#45;6a85&#45;4916&#45;bf0a&#45;9854a8aa7eaf</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M4966.99,-118.05C4966.99,-128.09 4966.99,-140.96 4966.99,-152.41\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"4963.49,-152.23 4966.99,-162.23 4970.49,-152.23 4963.49,-152.23\"/>\n",
-       "<text text-anchor=\"middle\" x=\"5026.99\" y=\"-137.9\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasCoordinationNumber</text>\n",
-       "</g>\n",
-       "<!-- Atom_1_0_Element&#45;&gt;cmso.Element -->\n",
-       "<g id=\"edge234\" class=\"edge\">\n",
-       "<title>Atom_1_0_Element&#45;&gt;cmso.Element</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M11404.77,-186.26C11354.43,-190.21 11271.55,-196.29 11199.99,-199.5 11109.59,-203.56 10473.41,-195.04 10385.74,-217.5 10376.64,-219.83 10376.11,-225 10366.99,-227.25 10240.29,-258.48 5869.28,-222.41 5591.55,-246.12\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"5591.54,-242.72 5582.02,-247.37 5592.37,-249.67 5591.54,-242.72\"/>\n",
-       "<text text-anchor=\"middle\" x=\"10394.62\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">type</text>\n",
-       "</g>\n",
-       "<!-- ea8f9fba&#45;9ce9&#45;4cb7&#45;ae04&#45;0983dd6de59a -->\n",
-       "<g id=\"node238\" class=\"node\">\n",
-       "<title>ea8f9fba&#45;9ce9&#45;4cb7&#45;ae04&#45;0983dd6de59a</title>\n",
-       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"11478.98,-281.25 11434.46,-281.25 11423,-245.25 11467.53,-245.25 11478.98,-281.25\"/>\n",
-       "<text text-anchor=\"middle\" x=\"11450.99\" y=\"-260.52\" font-family=\"Times,serif\" font-size=\"8.00\">Fe</text>\n",
-       "</g>\n",
-       "<!-- Atom_1_0_Element&#45;&gt;ea8f9fba&#45;9ce9&#45;4cb7&#45;ae04&#45;0983dd6de59a -->\n",
-       "<g id=\"edge288\" class=\"edge\">\n",
-       "<title>Atom_1_0_Element&#45;&gt;ea8f9fba&#45;9ce9&#45;4cb7&#45;ae04&#45;0983dd6de59a</title>\n",
-       "<path fill=\"none\" stroke=\"#37474f\" d=\"M11450.99,-199.8C11450.99,-209.84 11450.99,-222.71 11450.99,-234.16\"/>\n",
-       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"11447.49,-233.98 11450.99,-243.98 11454.49,-233.98 11447.49,-233.98\"/>\n",
-       "<text text-anchor=\"middle\" x=\"11483.62\" y=\"-219.65\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasSymbol</text>\n",
+       "<!-- a1749588&#45;4368&#45;4d6d&#45;9917&#45;55eb32deaa3f -->\n",
+       "<g id=\"node158\" class=\"node\">\n",
+       "<title>a1749588&#45;4368&#45;4d6d&#45;9917&#45;55eb32deaa3f</title>\n",
+       "<polygon fill=\"#e6ffcc\" stroke=\"#e6ffcc\" points=\"6014.64,-444.75 5969.07,-444.75 5957.34,-408.75 6002.92,-408.75 6014.64,-444.75\"/>\n",
+       "<text text-anchor=\"middle\" x=\"5985.99\" y=\"-424.02\" font-family=\"Times,serif\" font-size=\"8.00\">90.0</text>\n",
+       "</g>\n",
+       "<!-- sample_2_LatticeAngle&#45;&gt;a1749588&#45;4368&#45;4d6d&#45;9917&#45;55eb32deaa3f -->\n",
+       "<g id=\"edge177\" class=\"edge\">\n",
+       "<title>sample_2_LatticeAngle&#45;&gt;a1749588&#45;4368&#45;4d6d&#45;9917&#45;55eb32deaa3f</title>\n",
+       "<path fill=\"none\" stroke=\"#37474f\" d=\"M5985.99,-363.3C5985.99,-373.23 5985.99,-385.94 5985.99,-397.3\"/>\n",
+       "<polygon fill=\"#37474f\" stroke=\"#37474f\" points=\"5982.49,-396.97 5985.99,-406.97 5989.49,-396.97 5982.49,-396.97\"/>\n",
+       "<text text-anchor=\"middle\" x=\"6026.12\" y=\"-383.15\" font-family=\"Times,serif\" font-size=\"8.00\">cmso.hasAngle_beta</text>\n",
        "</g>\n",
        "</g>\n",
        "</svg>\n"
       ],
       "text/plain": [
-       "<graphviz.graphs.Digraph at 0x7f99a8a85e70>"
+       "<graphviz.graphs.Digraph at 0x7f19b02b4670>"
       ]
      },
      "execution_count": 7,
@@ -5155,7 +3884,7 @@
        "    <tr>\n",
        "      <th>0</th>\n",
        "      <td>bcc</td>\n",
-       "      <td>Sample_1</td>\n",
+       "      <td>sample:1</td>\n",
        "    </tr>\n",
        "  </tbody>\n",
        "</table>\n",
@@ -5163,7 +3892,7 @@
       ],
       "text/plain": [
        "  hasAltNamevalue AtomicScaleSample\n",
-       "0             bcc          Sample_1"
+       "0             bcc          sample:1"
       ]
      },
      "execution_count": 11,
@@ -5187,7 +3916,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 13,
+   "execution_count": 12,
    "id": "efde861c-b9dd-4b97-861b-a330bbd95de0",
    "metadata": {},
    "outputs": [],
@@ -5205,7 +3934,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 14,
+   "execution_count": 13,
    "id": "0cb6b043-abb3-41ca-bee7-fb3bf1e7e615",
    "metadata": {
     "tags": []
@@ -5217,7 +3946,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 15,
+   "execution_count": 14,
    "id": "ae884716-a31b-4170-b4d4-9cf8309a6d74",
    "metadata": {
     "tags": []
@@ -5259,7 +3988,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 16,
+   "execution_count": 15,
    "id": "7ba5d551-f85b-4c33-be37-b997feffd7d7",
    "metadata": {
     "tags": []
@@ -5271,7 +4000,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 17,
+   "execution_count": 16,
    "id": "f4a90cbe-cf6a-4285-a0d2-b7525726c6dc",
    "metadata": {
     "tags": []
@@ -5283,7 +4012,7 @@
        "Atoms(symbols='Fe2', pbc=True, cell=[2.87, 2.87, 2.87])"
       ]
      },
-     "execution_count": 17,
+     "execution_count": 16,
      "metadata": {},
      "output_type": "execute_result"
     }
@@ -5291,6 +4020,14 @@
    "source": [
     "aseobj"
    ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "e5ade0b7-c8dd-486a-b63d-9e819d457237",
+   "metadata": {},
+   "outputs": [],
+   "source": []
   }
  ],
  "metadata": {
diff --git a/examples/02_grain_boundaries.ipynb b/examples/02_grain_boundaries.ipynb
index eebce9f..5ea42fc 100644
--- a/examples/02_grain_boundaries.ipynb
+++ b/examples/02_grain_boundaries.ipynb
@@ -451,6 +451,26 @@
           "y": 0.3684031499590902,
           "z": 1.164993050450134
          },
+         "camera": {
+          "center": {
+           "x": 0,
+           "y": 0,
+           "z": 0
+          },
+          "eye": {
+           "x": 1.5960473450294201,
+           "y": 1.59604734502942,
+           "z": 1.5960473450294201
+          },
+          "projection": {
+           "type": "perspective"
+          },
+          "up": {
+           "x": 0,
+           "y": 0,
+           "z": 1
+          }
+         },
          "xaxis": {
           "showbackground": false,
           "showticklabels": false,
@@ -1299,11 +1319,11 @@
         "width": 700
        }
       },
-      "image/png": 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",
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{\"template\":{\"data\":{\"histogram2dcontour\":[{\"type\":\"histogram2dcontour\",\"colorbar\":{\"outlinewidth\":0,\"ticks\":\"\"},\"colorscale\":[[0.0,\"#0d0887\"],[0.1111111111111111,\"#46039f\"],[0.2222222222222222,\"#7201a8\"],[0.3333333333333333,\"#9c179e\"],[0.4444444444444444,\"#bd3786\"],[0.5555555555555556,\"#d8576b\"],[0.6666666666666666,\"#ed7953\"],[0.7777777777777778,\"#fb9f3a\"],[0.8888888888888888,\"#fdca26\"],[1.0,\"#f0f921\"]]}],\"choropleth\":[{\"type\":\"choropleth\",\"colorbar\":{\"outlinewidth\":0,\"ticks\":\"\"}}],\"histogram2d\":[{\"type\":\"histogram2d\",\"colorbar\":{\"outlinewidth\":0,\"ticks\":\"\"},\"colorscale\":[[0.0,\"#0d0887\"],[0.1111111111111111,\"#46039f\"],[0.2222222222222222,\"#7201a8\"],[0.3333333333333333,\"#9c179e\"],[0.4444444444444444,\"#bd3786\"],[0.5555555555555556,\"#d8576b\"],[0.6666666666666666,\"#ed7953\"],[0.7777777777777778,\"#fb9f3a\"],[0.8888888888888888,\"#fdca26\"],[1.0,\"#f0f921\"]]}],\"heatmap\":[{\"type\":\"heatmap\",\"colorbar\":{\"outlinewidth\":0,\"ticks\":\"\"},\"colorscale\":[[0.0,\"#0d0887\"],[0.1111111111111111,\"#46039f\"],[0.2222222222222222,\"#7201a8\"],[0.3333333333333333,\"#9c179e\"],[0.4444444444444444,\"#bd3786\"],[0.5555555555555556,\"#d8576b\"],[0.6666666666666666,\"#ed7953\"],[0.7777777777777778,\"#fb9f3a\"],[0.8888888888888888,\"#fdca26\"],[1.0,\"#f0f921\"]]}],\"heatmapgl\":[{\"type\":\"heatmapgl\",\"colorbar\":{\"outlinewidth\":0,\"ticks\":\"\"},\"colorscale\":[[0.0,\"#0d0887\"],[0.1111111111111111,\"#46039f\"],[0.2222222222222222,\"#7201a8\"],[0.3333333333333333,\"#9c179e\"],[0.4444444444444444,\"#bd3786\"],[0.5555555555555556,\"#d8576b\"],[0.6666666666666666,\"#ed7953\"],[0.7777777777777778,\"#fb9f3a\"],[0.8888888888888888,\"#fdca26\"],[1.0,\"#f0f921\"]]}],\"contourcarpet\":[{\"type\":\"contourcarpet\",\"colorbar\":{\"outlinewidth\":0,\"ticks\":\"\"}}],\"contour\":[{\"type\":\"contour\",\"colorbar\":{\"outlinewidth\":0,\"ticks\":\"\"},\"colorscale\":[[0.0,\"#0d0887\"],[0.1111111111111111,\"#46039f\"],[0.2222222222222222,\"#7201a8\"],[0.3333333333333333,\"#9c179e\"],[0.4444444444444444,\"#bd3786\"],[0.5555555555555556,\"#d8576b\"],[0.6666666666666666,\"#ed7953\"],[0.7777777777777778,\"#fb9f3a\"],[0.8888888888888888,\"#fdca26\"],[1.0,\"#f0f921\"]]}],\"surface\":[{\"type\":\"surface\",\"colorbar\":{\"outlinewidth\":0,\"ticks\":\"\"},\"colorscale\":[[0.0,\"#0d0887\"],[0.1111111111111111,\"#46039f\"],[0.2222222222222222,\"#7201a8\"],[0.3333333333333333,\"#9c179e\"],[0.4444444444444444,\"#bd3786\"],[0.5555555555555556,\"#d8576b\"],[0.6666666666666666,\"#ed7953\"],[0.7777777777777778,\"#fb9f3a\"],[0.8888888888888888,\"#fdca26\"],[1.0,\"#f0f921\"]]}],\"mesh3d\":[{\"type\":\"mesh3d\",\"colorbar\":{\"outlinewidth\":0,\"ticks\":\"\"}}],\"scatter\":[{\"fillpattern\":{\"fillmode\":\"overlay\",\"size\":10,\"solidity\":0.2},\"type\":\"scatter\"}],\"parcoords\":[{\"type\":\"parcoords\",\"line\":{\"colorbar\":{\"outlinewidth\":0,\"ticks\":\"\"}}}],\"scatterpolargl\":[{\"type\":\"scatterpolargl\",\"marker\":{\"colorbar\":{\"outlinewidth\":0,\"ticks\":\"\"}}}],\"bar\":[{\"error_x\":{\"color\":\"#2a3f5f\"},\"error_y\":{\"color\":\"#2a3f5f\"},\"marker\":{\"line\":{\"color\":\"#E5ECF6\",\"width\":0.5},\"pattern\":{\"fillmode\":\"overlay\",\"size\":10,\"solidity\":0.2}},\"type\":\"bar\"}],\"scattergeo\":[{\"type\":\"scattergeo\",\"marker\":{\"colorbar\":{\"outlinewidth\":0,\"ticks\":\"\"}}}],\"scatterpolar\":[{\"type\":\"scatterpolar\",\"marker\":{\"colorbar\":{\"outlinewidth\":0,\"ticks\":\"\"}}}],\"histogram\":[{\"marker\":{\"pattern\":{\"fillmode\":\"overlay\",\"size\":10,\"solidity\":0.2}},\"type\":\"histogram\"}],\"scattergl\":[{\"type\":\"scattergl\",\"marker\":{\"colorbar\":{\"outlinewidth\":0,\"ticks\":\"\"}}}],\"scatter3d\":[{\"type\":\"scatter3d\",\"line\":{\"colorbar\":{\"outlinewidth\":0,\"ticks\":\"\"}},\"marker\":{\"colorbar\":{\"outlinewidth\":0,\"ticks\":\"\"}}}],\"scattermapbox\":[{\"type\":\"scattermapbox\",\"marker\":{\"colorbar\":{\"outlinewidth\":0,\"ticks\":\"\"}}}],\"scatterternary\":[{\"type\":\"scatterternary\",\"marker\":{\"colorbar\":{\"outlinewidth\":0,\"ticks\":\"\"}}}],\"scattercarpet\":[{\"type\":\"scattercarpet\",\"marker\":{\"colorbar\":{\"outlinewidth\":0,\"ticks\":\"\"}}}],\"carpet\":[{\"aaxis\":{\"endlinecolor\":\"#2a3f5f\",\"gridcolor\":\"white\",\"linecolor\":\"white\",\"minorgridcolor\":\"white\",\"startlinecolor\":\"#2a3f5f\"},\"baxis\":{\"endlinecolor\":\"#2a3f5f\",\"gridcolor\":\"white\",\"linecolor\":\"white\",\"minorgridcolor\":\"white\",\"startlinecolor\":\"#2a3f5f\"},\"type\":\"carpet\"}],\"table\":[{\"cells\":{\"fill\":{\"color\":\"#EBF0F8\"},\"line\":{\"color\":\"white\"}},\"header\":{\"fill\":{\"color\":\"#C8D4E3\"},\"line\":{\"color\":\"white\"}},\"type\":\"table\"}],\"barpolar\":[{\"marker\":{\"line\":{\"color\":\"#E5ECF6\",\"width\":0.5},\"pattern\":{\"fillmode\":\"overlay\",\"size\":10,\"solidity\":0.2}},\"type\":\"barpolar\"}],\"pie\":[{\"automargin\":true,\"type\":\"pie\"}]},\"layout\":{\"autotypenu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                       {\"responsive\": true}                    ).then(function(){\n",
        "                            \n",
-       "var gd = document.getElementById('349aa2a0-f153-4d72-bca1-08f359b027bc');\n",
+       "var gd = document.getElementById('13f48397-ff3a-44b4-906a-a740e44f3adc');\n",
        "var x = new MutationObserver(function (mutations, observer) {{\n",
        "        var display = window.getComputedStyle(gd).display;\n",
        "        if (!display || display === 'none') {{\n",
@@ -1404,16 +1424,16 @@
        "  <tbody>\n",
        "    <tr>\n",
        "      <th>0</th>\n",
-       "      <td>N4e98f9aa26e24d6997cdf675f38a4f30</td>\n",
-       "      <td>Sample_1</td>\n",
+       "      <td>sample:1_SymmetricalTiltGrainBoundary</td>\n",
+       "      <td>sample:1</td>\n",
        "    </tr>\n",
        "  </tbody>\n",
        "</table>\n",
        "</div>"
       ],
       "text/plain": [
-       "        SymmetricalTiltGrainBoundary AtomicScaleSample\n",
-       "0  N4e98f9aa26e24d6997cdf675f38a4f30          Sample_1"
+       "            SymmetricalTiltGrainBoundary AtomicScaleSample\n",
+       "0  sample:1_SymmetricalTiltGrainBoundary          sample:1"
       ]
      },
      "execution_count": 6,
@@ -1471,17 +1491,17 @@
        "  <tbody>\n",
        "    <tr>\n",
        "      <th>0</th>\n",
-       "      <td>N4e98f9aa26e24d6997cdf675f38a4f30</td>\n",
+       "      <td>sample:1_SymmetricalTiltGrainBoundary</td>\n",
        "      <td>5</td>\n",
-       "      <td>Sample_1</td>\n",
+       "      <td>sample:1</td>\n",
        "    </tr>\n",
        "  </tbody>\n",
        "</table>\n",
        "</div>"
       ],
       "text/plain": [
-       "        SymmetricalTiltGrainBoundary hasSigmaValuevalue AtomicScaleSample\n",
-       "0  N4e98f9aa26e24d6997cdf675f38a4f30                  5          Sample_1"
+       "            SymmetricalTiltGrainBoundary hasSigmaValuevalue AtomicScaleSample\n",
+       "0  sample:1_SymmetricalTiltGrainBoundary                  5          sample:1"
       ]
      },
      "execution_count": 7,
@@ -1512,7 +1532,7 @@
     {
      "data": {
       "text/plain": [
-       "rdflib.term.BNode('Sample_1')"
+       "rdflib.term.URIRef('sample:1')"
       ]
      },
      "execution_count": 8,
@@ -1571,6 +1591,14 @@
    "source": [
     "! head -20 POSCAR"
    ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "9a8cc74a-e952-44e7-ba0c-fc7a19149089",
+   "metadata": {},
+   "outputs": [],
+   "source": []
   }
  ],
  "metadata": {
diff --git a/pyscal_rdf/data/asmo.owl b/pyscal_rdf/data/asmo.owl
new file mode 100644
index 0000000..ec013b0
--- /dev/null
+++ b/pyscal_rdf/data/asmo.owl
@@ -0,0 +1,1087 @@
+<?xml version="1.0"?>
+<rdf:RDF xmlns="http://purls.helmholtz-metadaten.de/asmo/"
+     xml:base="http://purls.helmholtz-metadaten.de/asmo/"
+     xmlns:dc="http://purl.org/dc/elements/1.1/"
+     xmlns:owl="http://www.w3.org/2002/07/owl#"
+     xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#"
+     xmlns:xml="http://www.w3.org/XML/1998/namespace"
+     xmlns:xsd="http://www.w3.org/2001/XMLSchema#"
+     xmlns:prov="http://www.w3.org/ns/prov#"
+     xmlns:rdfs="http://www.w3.org/2000/01/rdf-schema#"
+     xmlns:skos="http://www.w3.org/2004/02/skos/core#"
+     xmlns:terms="http://purl.org/dc/terms/">
+    <owl:Ontology rdf:about="http://purls.helmholtz-metadaten.de/asmo/">
+        <terms:contributor>https://orcid.org/0000-0002-6776-1213</terms:contributor>
+        <terms:creator>https://orcid.org/0000-0001-7564-7990</terms:creator>
+        <terms:description>ASMO is an ontology that aims to define the concepts needed to describe commonly used atomic scale simulation methods, i.e. density functional theory, molecular dynamics, Monte Carlo methods, etc. ASMO uses the Provenance Ontology (PROV-O) to describe the simulation process.</terms:description>
+        <terms:title>Atomistic Simulation Methods Ontology (ASMO)</terms:title>
+    </owl:Ontology>
+    
+
+
+    <!-- 
+    ///////////////////////////////////////////////////////////////////////////////////////
+    //
+    // Annotation properties
+    //
+    ///////////////////////////////////////////////////////////////////////////////////////
+     -->
+
+    
+
+
+    <!-- http://purl.org/dc/elements/1.1/contributor -->
+
+    <owl:AnnotationProperty rdf:about="http://purl.org/dc/elements/1.1/contributor"/>
+    
+
+
+    <!-- http://purl.org/dc/elements/1.1/creator -->
+
+    <owl:AnnotationProperty rdf:about="http://purl.org/dc/elements/1.1/creator"/>
+    
+
+
+    <!-- http://purl.org/dc/elements/1.1/description -->
+
+    <owl:AnnotationProperty rdf:about="http://purl.org/dc/elements/1.1/description"/>
+    
+
+
+    <!-- http://purl.org/dc/elements/1.1/title -->
+
+    <owl:AnnotationProperty rdf:about="http://purl.org/dc/elements/1.1/title"/>
+    
+
+
+    <!-- http://purl.org/dc/terms/contributor -->
+
+    <owl:AnnotationProperty rdf:about="http://purl.org/dc/terms/contributor">
+        <rdfs:comment xml:lang="en-us">Examples of a Contributor include a person, an organization, or a service. Typically, the name of a Contributor should be used to indicate the entity.</rdfs:comment>
+        <rdfs:label xml:lang="en-us">Contributor</rdfs:label>
+        <skos:definition xml:lang="en-us">An entity responsible for making contributions to the resource.</skos:definition>
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/dc/elements/1.1/contributor"/>
+    </owl:AnnotationProperty>
+    
+
+
+    <!-- http://purl.org/dc/terms/creator -->
+
+    <owl:AnnotationProperty rdf:about="http://purl.org/dc/terms/creator">
+        <rdfs:comment xml:lang="en-us">Examples of a Creator include a person, an organization, or a service. Typically, the name of a Creator should be used to indicate the entity.</rdfs:comment>
+        <rdfs:label xml:lang="en-us">Creator</rdfs:label>
+        <skos:definition xml:lang="en-us">An entity primarily responsible for making the resource.</skos:definition>
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/dc/elements/1.1/creator"/>
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/dc/terms/contributor"/>
+        <rdfs:range rdf:resource="http://purl.org/dc/terms/Agent"/>
+    </owl:AnnotationProperty>
+    
+
+
+    <!-- http://purl.org/dc/terms/description -->
+
+    <owl:AnnotationProperty rdf:about="http://purl.org/dc/terms/description">
+        <rdfs:comment xml:lang="en-us">Description may include but is not limited to: an abstract, a table of contents, a graphical representation, or a free-text account of the resource.</rdfs:comment>
+        <rdfs:label xml:lang="en-us">Description</rdfs:label>
+        <skos:definition xml:lang="en-us">An account of the resource.</skos:definition>
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/dc/elements/1.1/description"/>
+    </owl:AnnotationProperty>
+    
+
+
+    <!-- http://purl.org/dc/terms/title -->
+
+    <owl:AnnotationProperty rdf:about="http://purl.org/dc/terms/title">
+        <rdfs:label xml:lang="en-us">Title</rdfs:label>
+        <skos:definition xml:lang="en-us">A name given to the resource.</skos:definition>
+        <skos:note xml:lang="en-us">In current practice, this term is used primarily with literal values; however, there are important uses with non-literal values as well. As of December 2007, the DCMI Usage Board is leaving this range unspecified pending an investigation of options.</skos:note>
+        <rdfs:subPropertyOf rdf:resource="http://purl.org/dc/elements/1.1/title"/>
+    </owl:AnnotationProperty>
+    
+
+
+    <!-- http://www.w3.org/2004/02/skos/core#altLabel -->
+
+    <owl:AnnotationProperty rdf:about="http://www.w3.org/2004/02/skos/core#altLabel">
+        <rdfs:comment xml:lang="en">The range of skos:altLabel is the class of RDF plain literals.</rdfs:comment>
+        <rdfs:comment xml:lang="en">skos:prefLabel, skos:altLabel and skos:hiddenLabel are pairwise disjoint properties.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://www.w3.org/2004/02/skos/core"/>
+        <rdfs:label xml:lang="en">alternative label</rdfs:label>
+        <skos:definition xml:lang="en">An alternative lexical label for a resource.</skos:definition>
+        <skos:example xml:lang="en">Acronyms, abbreviations, spelling variants, and irregular plural/singular forms may be included among the alternative labels for a concept. Mis-spelled terms are normally included as hidden labels (see skos:hiddenLabel).</skos:example>
+        <rdfs:subPropertyOf rdf:resource="http://www.w3.org/2000/01/rdf-schema#label"/>
+    </owl:AnnotationProperty>
+    
+
+
+    <!-- http://www.w3.org/2004/02/skos/core#definition -->
+
+    <owl:AnnotationProperty rdf:about="http://www.w3.org/2004/02/skos/core#definition">
+        <rdfs:isDefinedBy rdf:resource="http://www.w3.org/2004/02/skos/core"/>
+        <rdfs:label xml:lang="en">definition</rdfs:label>
+        <skos:definition xml:lang="en">A statement or formal explanation of the meaning of a concept.</skos:definition>
+        <rdfs:subPropertyOf rdf:resource="http://www.w3.org/2004/02/skos/core#note"/>
+    </owl:AnnotationProperty>
+    
+
+
+    <!-- http://www.w3.org/2004/02/skos/core#example -->
+
+    <owl:AnnotationProperty rdf:about="http://www.w3.org/2004/02/skos/core#example">
+        <rdfs:isDefinedBy rdf:resource="http://www.w3.org/2004/02/skos/core"/>
+        <rdfs:label xml:lang="en">example</rdfs:label>
+        <skos:definition xml:lang="en">An example of the use of a concept.</skos:definition>
+        <rdfs:subPropertyOf rdf:resource="http://www.w3.org/2004/02/skos/core#note"/>
+    </owl:AnnotationProperty>
+    
+
+
+    <!-- http://www.w3.org/2004/02/skos/core#note -->
+
+    <owl:AnnotationProperty rdf:about="http://www.w3.org/2004/02/skos/core#note">
+        <skos:definition xml:lang="en">A general note, for any purpose.</skos:definition>
+    </owl:AnnotationProperty>
+    
+
+
+    <!-- http://www.w3.org/2004/02/skos/core#prefLabel -->
+
+    <owl:AnnotationProperty rdf:about="http://www.w3.org/2004/02/skos/core#prefLabel">
+        <rdfs:comment xml:lang="en">A resource has no more than one value of skos:prefLabel per language tag, and no more than one value of skos:prefLabel without language tag.</rdfs:comment>
+        <rdfs:comment xml:lang="en">The range of skos:prefLabel is the class of RDF plain literals.</rdfs:comment>
+        <rdfs:comment xml:lang="en">skos:prefLabel, skos:altLabel and skos:hiddenLabel are pairwise
+      disjoint properties.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://www.w3.org/2004/02/skos/core"/>
+        <rdfs:label xml:lang="en">preferred label</rdfs:label>
+        <skos:definition xml:lang="en">The preferred lexical label for a resource, in a given language.</skos:definition>
+        <rdfs:subPropertyOf rdf:resource="http://www.w3.org/2000/01/rdf-schema#label"/>
+    </owl:AnnotationProperty>
+    
+
+
+    <!-- http://www.w3.org/ns/prov#category -->
+
+    <owl:AnnotationProperty rdf:about="http://www.w3.org/ns/prov#category"/>
+    
+
+
+    <!-- http://www.w3.org/ns/prov#component -->
+
+    <owl:AnnotationProperty rdf:about="http://www.w3.org/ns/prov#component"/>
+    
+
+
+    <!-- http://www.w3.org/ns/prov#constraints -->
+
+    <owl:AnnotationProperty rdf:about="http://www.w3.org/ns/prov#constraints"/>
+    
+
+
+    <!-- http://www.w3.org/ns/prov#definition -->
+
+    <owl:AnnotationProperty rdf:about="http://www.w3.org/ns/prov#definition"/>
+    
+
+
+    <!-- http://www.w3.org/ns/prov#dm -->
+
+    <owl:AnnotationProperty rdf:about="http://www.w3.org/ns/prov#dm"/>
+    
+
+
+    <!-- http://www.w3.org/ns/prov#editorialNote -->
+
+    <owl:AnnotationProperty rdf:about="http://www.w3.org/ns/prov#editorialNote"/>
+    
+
+
+    <!-- http://www.w3.org/ns/prov#inverse -->
+
+    <owl:AnnotationProperty rdf:about="http://www.w3.org/ns/prov#inverse"/>
+    
+
+
+    <!-- http://www.w3.org/ns/prov#n -->
+
+    <owl:AnnotationProperty rdf:about="http://www.w3.org/ns/prov#n"/>
+    
+
+
+    <!-- http://www.w3.org/ns/prov#qualifiedForm -->
+
+    <owl:AnnotationProperty rdf:about="http://www.w3.org/ns/prov#qualifiedForm"/>
+    
+
+
+    <!-- http://www.w3.org/ns/prov#sharesDefinitionWith -->
+
+    <owl:AnnotationProperty rdf:about="http://www.w3.org/ns/prov#sharesDefinitionWith"/>
+    
+
+
+    <!-- 
+    ///////////////////////////////////////////////////////////////////////////////////////
+    //
+    // Datatypes
+    //
+    ///////////////////////////////////////////////////////////////////////////////////////
+     -->
+
+    
+
+
+    <!-- http://qudt.org/schema/qudt/LatexString -->
+
+    <rdfs:Datatype rdf:about="http://qudt.org/schema/qudt/LatexString"/>
+    
+
+
+    <!-- 
+    ///////////////////////////////////////////////////////////////////////////////////////
+    //
+    // Object Properties
+    //
+    ///////////////////////////////////////////////////////////////////////////////////////
+     -->
+
+    
+
+
+    <!-- http://purls.helmholtz-metadaten.de/asmo/hasComputationalMethod -->
+
+    <owl:ObjectProperty rdf:about="http://purls.helmholtz-metadaten.de/asmo/hasComputationalMethod">
+        <rdfs:domain rdf:resource="http://www.w3.org/ns/prov#Activity"/>
+        <rdfs:range rdf:resource="http://purls.helmholtz-metadaten.de/asmo/ComputationalMethod"/>
+        <rdfs:label>has computational method</rdfs:label>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://purls.helmholtz-metadaten.de/asmo/hasInputParameter -->
+
+    <owl:ObjectProperty rdf:about="http://purls.helmholtz-metadaten.de/asmo/hasInputParameter">
+        <rdfs:domain rdf:resource="http://purls.helmholtz-metadaten.de/asmo/StructureOptimization"/>
+        <rdfs:range rdf:resource="http://purls.helmholtz-metadaten.de/asmo/InputParameter"/>
+        <rdfs:label>has input parameter</rdfs:label>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://purls.helmholtz-metadaten.de/asmo/hasInteratomicPotential -->
+
+    <owl:ObjectProperty rdf:about="http://purls.helmholtz-metadaten.de/asmo/hasInteratomicPotential">
+        <rdfs:domain rdf:resource="http://purls.helmholtz-metadaten.de/asmo/MolecularDynamics"/>
+        <rdfs:range rdf:resource="http://purls.helmholtz-metadaten.de/asmo/InteratomicPotential"/>
+        <rdfs:label>has interatomic potential</rdfs:label>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://purls.helmholtz-metadaten.de/asmo/hasRelaxationDOF -->
+
+    <owl:ObjectProperty rdf:about="http://purls.helmholtz-metadaten.de/asmo/hasRelaxationDOF">
+        <rdfs:domain rdf:resource="http://purls.helmholtz-metadaten.de/asmo/StructureOptimization"/>
+        <rdfs:range rdf:resource="http://purls.helmholtz-metadaten.de/asmo/RelaxationDOF"/>
+        <rdfs:label>has relaxation DOF</rdfs:label>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://purls.helmholtz-metadaten.de/asmo/hasStatisticalEnsemble -->
+
+    <owl:ObjectProperty rdf:about="http://purls.helmholtz-metadaten.de/asmo/hasStatisticalEnsemble">
+        <rdfs:domain>
+            <owl:Class>
+                <owl:unionOf rdf:parseType="Collection">
+                    <rdf:Description rdf:about="http://purls.helmholtz-metadaten.de/asmo/AbInitioMolecularDynamics"/>
+                    <rdf:Description rdf:about="http://purls.helmholtz-metadaten.de/asmo/MolecularDynamics"/>
+                    <rdf:Description rdf:about="http://purls.helmholtz-metadaten.de/asmo/MonteCarloMethod"/>
+                </owl:unionOf>
+            </owl:Class>
+        </rdfs:domain>
+        <rdfs:range rdf:resource="http://purls.helmholtz-metadaten.de/asmo/StatisticalEnsemble"/>
+        <rdfs:label>has statistical ensemble</rdfs:label>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://purls.helmholtz-metadaten.de/asmo/hasUnit -->
+
+    <owl:ObjectProperty rdf:about="http://purls.helmholtz-metadaten.de/asmo/hasUnit">
+        <rdfs:domain rdf:resource="http://purls.helmholtz-metadaten.de/asmo/InputParameter"/>
+        <rdfs:range rdf:resource="http://qudt.org/schema/qudt/Unit"/>
+        <rdfs:label>has unit</rdfs:label>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://purls.helmholtz-metadaten.de/asmo/wasCalculatedBy -->
+
+    <owl:ObjectProperty rdf:about="http://purls.helmholtz-metadaten.de/asmo/wasCalculatedBy">
+        <rdfs:domain rdf:resource="http://purls.helmholtz-metadaten.de/cmso/CalculatedProperty"/>
+        <rdfs:range rdf:resource="http://www.w3.org/ns/prov#Activity"/>
+        <rdfs:label>was calculated by</rdfs:label>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://www.w3.org/ns/prov#actedOnBehalfOf -->
+
+    <owl:ObjectProperty rdf:about="http://www.w3.org/ns/prov#actedOnBehalfOf">
+        <rdfs:subPropertyOf rdf:resource="http://www.w3.org/ns/prov#wasInfluencedBy"/>
+        <rdfs:domain rdf:resource="http://www.w3.org/ns/prov#Agent"/>
+        <rdfs:range rdf:resource="http://www.w3.org/ns/prov#Agent"/>
+        <rdfs:comment xml:lang="en">An object property to express the accountability of an agent towards another agent. The subordinate agent acted on behalf of the responsible agent in an actual activity. </rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://www.w3.org/ns/prov-o#"/>
+        <rdfs:label>actedOnBehalfOf</rdfs:label>
+        <prov:category>starting-point</prov:category>
+        <prov:component>agents-responsibility</prov:component>
+        <prov:inverse>hadDelegate</prov:inverse>
+        <prov:qualifiedForm rdf:resource="http://www.w3.org/ns/prov#Delegation"/>
+        <prov:qualifiedForm rdf:resource="http://www.w3.org/ns/prov#qualifiedDelegation"/>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://www.w3.org/ns/prov#generated -->
+
+    <owl:ObjectProperty rdf:about="http://www.w3.org/ns/prov#generated">
+        <rdfs:subPropertyOf rdf:resource="http://www.w3.org/ns/prov#influenced"/>
+        <owl:inverseOf rdf:resource="http://www.w3.org/ns/prov#wasGeneratedBy"/>
+        <rdfs:domain rdf:resource="http://www.w3.org/ns/prov#Activity"/>
+        <rdfs:range rdf:resource="http://www.w3.org/ns/prov#Entity"/>
+        <rdfs:isDefinedBy rdf:resource="http://www.w3.org/ns/prov-o#"/>
+        <rdfs:label>generated</rdfs:label>
+        <prov:category>expanded</prov:category>
+        <prov:component>entities-activities</prov:component>
+        <prov:editorialNote xml:lang="en">prov:generated is one of few inverse property defined, to allow Activity-oriented assertions in addition to Entity-oriented assertions.</prov:editorialNote>
+        <prov:inverse>wasGeneratedBy</prov:inverse>
+        <prov:sharesDefinitionWith rdf:resource="http://www.w3.org/ns/prov#Generation"/>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://www.w3.org/ns/prov#influenced -->
+
+    <owl:ObjectProperty rdf:about="http://www.w3.org/ns/prov#influenced">
+        <owl:inverseOf rdf:resource="http://www.w3.org/ns/prov#wasInfluencedBy"/>
+        <rdfs:isDefinedBy rdf:resource="http://www.w3.org/ns/prov-o#"/>
+        <rdfs:label>influenced</rdfs:label>
+        <prov:category>expanded</prov:category>
+        <prov:component>agents-responsibility</prov:component>
+        <prov:inverse>wasInfluencedBy</prov:inverse>
+        <prov:sharesDefinitionWith rdf:resource="http://www.w3.org/ns/prov#Influence"/>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://www.w3.org/ns/prov#used -->
+
+    <owl:ObjectProperty rdf:about="http://www.w3.org/ns/prov#used">
+        <rdfs:subPropertyOf rdf:resource="http://www.w3.org/ns/prov#wasInfluencedBy"/>
+        <rdfs:domain rdf:resource="http://www.w3.org/ns/prov#Activity"/>
+        <rdfs:range rdf:resource="http://www.w3.org/ns/prov#Entity"/>
+        <rdfs:comment xml:lang="en">A prov:Entity that was used by this prov:Activity. For example, :baking prov:used :spoon, :egg, :oven .</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://www.w3.org/ns/prov-o#"/>
+        <rdfs:label>used</rdfs:label>
+        <prov:category>starting-point</prov:category>
+        <prov:component>entities-activities</prov:component>
+        <prov:inverse>wasUsedBy</prov:inverse>
+        <prov:qualifiedForm rdf:resource="http://www.w3.org/ns/prov#Usage"/>
+        <prov:qualifiedForm rdf:resource="http://www.w3.org/ns/prov#qualifiedUsage"/>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://www.w3.org/ns/prov#wasAssociatedWith -->
+
+    <owl:ObjectProperty rdf:about="http://www.w3.org/ns/prov#wasAssociatedWith">
+        <rdfs:subPropertyOf rdf:resource="http://www.w3.org/ns/prov#wasInfluencedBy"/>
+        <rdfs:domain rdf:resource="http://www.w3.org/ns/prov#Activity"/>
+        <rdfs:range rdf:resource="http://www.w3.org/ns/prov#Agent"/>
+        <rdfs:comment xml:lang="en">An prov:Agent that had some (unspecified) responsibility for the occurrence of this prov:Activity.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://www.w3.org/ns/prov-o#"/>
+        <rdfs:label>wasAssociatedWith</rdfs:label>
+        <prov:category>starting-point</prov:category>
+        <prov:component>agents-responsibility</prov:component>
+        <prov:inverse>wasAssociateFor</prov:inverse>
+        <prov:qualifiedForm rdf:resource="http://www.w3.org/ns/prov#Association"/>
+        <prov:qualifiedForm rdf:resource="http://www.w3.org/ns/prov#qualifiedAssociation"/>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://www.w3.org/ns/prov#wasAttributedTo -->
+
+    <owl:ObjectProperty rdf:about="http://www.w3.org/ns/prov#wasAttributedTo">
+        <rdfs:subPropertyOf rdf:resource="http://www.w3.org/ns/prov#wasInfluencedBy"/>
+        <rdfs:domain rdf:resource="http://www.w3.org/ns/prov#Entity"/>
+        <rdfs:range rdf:resource="http://www.w3.org/ns/prov#Agent"/>
+        <rdfs:comment xml:lang="en">Attribution is the ascribing of an entity to an agent.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://www.w3.org/ns/prov-o#"/>
+        <rdfs:label>wasAttributedTo</rdfs:label>
+        <prov:category>starting-point</prov:category>
+        <prov:component>agents-responsibility</prov:component>
+        <prov:definition xml:lang="en">Attribution is the ascribing of an entity to an agent.</prov:definition>
+        <prov:inverse>contributed</prov:inverse>
+        <prov:qualifiedForm rdf:resource="http://www.w3.org/ns/prov#Attribution"/>
+        <prov:qualifiedForm rdf:resource="http://www.w3.org/ns/prov#qualifiedAttribution"/>
+    </owl:ObjectProperty>
+    <owl:Axiom>
+        <owl:annotatedSource rdf:resource="http://www.w3.org/ns/prov#wasAttributedTo"/>
+        <owl:annotatedProperty rdf:resource="http://www.w3.org/2000/01/rdf-schema#subPropertyOf"/>
+        <owl:annotatedTarget rdf:resource="http://www.w3.org/ns/prov#wasInfluencedBy"/>
+        <rdfs:comment>Attribution is a particular case of trace (see http://www.w3.org/TR/prov-dm/#concept-trace), in the sense that it links an entity to the agent that ascribed it.</rdfs:comment>
+        <prov:definition>IF wasAttributedTo(e2,ag1,aAttr) holds, THEN wasInfluencedBy(e2,ag1) also holds. </prov:definition>
+    </owl:Axiom>
+    
+
+
+    <!-- http://www.w3.org/ns/prov#wasDerivedFrom -->
+
+    <owl:ObjectProperty rdf:about="http://www.w3.org/ns/prov#wasDerivedFrom">
+        <rdfs:subPropertyOf rdf:resource="http://www.w3.org/ns/prov#wasInfluencedBy"/>
+        <rdfs:domain rdf:resource="http://www.w3.org/ns/prov#Entity"/>
+        <rdfs:range rdf:resource="http://www.w3.org/ns/prov#Entity"/>
+        <rdfs:comment xml:lang="en">The more specific subproperties of prov:wasDerivedFrom (i.e., prov:wasQuotedFrom, prov:wasRevisionOf, prov:hadPrimarySource) should be used when applicable.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://www.w3.org/ns/prov-o#"/>
+        <rdfs:label>wasDerivedFrom</rdfs:label>
+        <prov:category>starting-point</prov:category>
+        <prov:component>derivations</prov:component>
+        <prov:definition xml:lang="en">A derivation is a transformation of an entity into another, an update of an entity resulting in a new one, or the construction of a new entity based on a pre-existing entity.</prov:definition>
+        <prov:inverse>hadDerivation</prov:inverse>
+        <prov:qualifiedForm rdf:resource="http://www.w3.org/ns/prov#Derivation"/>
+        <prov:qualifiedForm rdf:resource="http://www.w3.org/ns/prov#qualifiedDerivation"/>
+    </owl:ObjectProperty>
+    <owl:Axiom>
+        <owl:annotatedSource rdf:resource="http://www.w3.org/ns/prov#wasDerivedFrom"/>
+        <owl:annotatedProperty rdf:resource="http://www.w3.org/2000/01/rdf-schema#subPropertyOf"/>
+        <owl:annotatedTarget rdf:resource="http://www.w3.org/ns/prov#wasInfluencedBy"/>
+        <rdfs:comment>Derivation is a particular case of trace (see http://www.w3.org/TR/prov-dm/#term-trace), since it links an entity to another entity that contributed to its existence.</rdfs:comment>
+    </owl:Axiom>
+    
+
+
+    <!-- http://www.w3.org/ns/prov#wasGeneratedBy -->
+
+    <owl:ObjectProperty rdf:about="http://www.w3.org/ns/prov#wasGeneratedBy">
+        <rdfs:subPropertyOf rdf:resource="http://www.w3.org/ns/prov#wasInfluencedBy"/>
+        <rdfs:domain rdf:resource="http://www.w3.org/ns/prov#Entity"/>
+        <rdfs:range rdf:resource="http://www.w3.org/ns/prov#Activity"/>
+        <rdfs:isDefinedBy rdf:resource="http://www.w3.org/ns/prov-o#"/>
+        <rdfs:label>wasGeneratedBy</rdfs:label>
+        <prov:category>starting-point</prov:category>
+        <prov:component>entities-activities</prov:component>
+        <prov:inverse>generated</prov:inverse>
+        <prov:qualifiedForm rdf:resource="http://www.w3.org/ns/prov#Generation"/>
+        <prov:qualifiedForm rdf:resource="http://www.w3.org/ns/prov#qualifiedGeneration"/>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- http://www.w3.org/ns/prov#wasInfluencedBy -->
+
+    <owl:ObjectProperty rdf:about="http://www.w3.org/ns/prov#wasInfluencedBy">
+        <rdfs:domain>
+            <owl:Class>
+                <owl:unionOf rdf:parseType="Collection">
+                    <rdf:Description rdf:about="http://www.w3.org/ns/prov#Activity"/>
+                    <rdf:Description rdf:about="http://www.w3.org/ns/prov#Agent"/>
+                    <rdf:Description rdf:about="http://www.w3.org/ns/prov#Entity"/>
+                </owl:unionOf>
+            </owl:Class>
+        </rdfs:domain>
+        <rdfs:range>
+            <owl:Class>
+                <owl:unionOf rdf:parseType="Collection">
+                    <rdf:Description rdf:about="http://www.w3.org/ns/prov#Activity"/>
+                    <rdf:Description rdf:about="http://www.w3.org/ns/prov#Agent"/>
+                    <rdf:Description rdf:about="http://www.w3.org/ns/prov#Entity"/>
+                </owl:unionOf>
+            </owl:Class>
+        </rdfs:range>
+        <rdfs:comment xml:lang="en">Because prov:wasInfluencedBy is a broad relation, its more specific subproperties (e.g. prov:wasInformedBy, prov:actedOnBehalfOf, prov:wasEndedBy, etc.) should be used when applicable.</rdfs:comment>
+        <rdfs:comment>This property has multiple RDFS domains to suit multiple OWL Profiles. See &lt;a href=&quot;#owl-profile&quot;&gt;PROV-O OWL Profile&lt;/a&gt;.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://www.w3.org/ns/prov-o#"/>
+        <rdfs:label>wasInfluencedBy</rdfs:label>
+        <prov:category>qualified</prov:category>
+        <prov:component>agents-responsibility</prov:component>
+        <prov:editorialNote xml:lang="en">The sub-properties of prov:wasInfluencedBy can be elaborated in more detail using the Qualification Pattern. For example, the binary relation :baking prov:used :spoon can be qualified by asserting :baking prov:qualifiedUsage [ a prov:Usage; prov:entity :spoon; prov:atLocation :kitchen ] .
+
+Subproperties of prov:wasInfluencedBy may also be asserted directly without being qualified.
+
+prov:wasInfluencedBy should not be used without also using one of its subproperties. 
+</prov:editorialNote>
+        <prov:inverse>influenced</prov:inverse>
+        <prov:qualifiedForm rdf:resource="http://www.w3.org/ns/prov#Influence"/>
+        <prov:qualifiedForm rdf:resource="http://www.w3.org/ns/prov#qualifiedInfluence"/>
+        <prov:sharesDefinitionWith rdf:resource="http://www.w3.org/ns/prov#Influence"/>
+    </owl:ObjectProperty>
+    <owl:Axiom>
+        <owl:annotatedSource rdf:resource="http://www.w3.org/ns/prov#wasInfluencedBy"/>
+        <owl:annotatedProperty rdf:resource="http://www.w3.org/2000/01/rdf-schema#domain"/>
+        <owl:annotatedTarget>
+            <owl:Class>
+                <owl:unionOf rdf:parseType="Collection">
+                    <rdf:Description rdf:about="http://www.w3.org/ns/prov#Activity"/>
+                    <rdf:Description rdf:about="http://www.w3.org/ns/prov#Agent"/>
+                    <rdf:Description rdf:about="http://www.w3.org/ns/prov#Entity"/>
+                </owl:unionOf>
+            </owl:Class>
+        </owl:annotatedTarget>
+        <prov:definition>influencee: an identifier (o2) for an entity, activity, or agent; </prov:definition>
+        <prov:dm>http://www.w3.org/TR/2013/REC-prov-dm-20130430/#term-influence</prov:dm>
+    </owl:Axiom>
+    <owl:Axiom>
+        <owl:annotatedSource rdf:resource="http://www.w3.org/ns/prov#wasInfluencedBy"/>
+        <owl:annotatedProperty rdf:resource="http://www.w3.org/2000/01/rdf-schema#range"/>
+        <owl:annotatedTarget>
+            <owl:Class>
+                <owl:unionOf rdf:parseType="Collection">
+                    <rdf:Description rdf:about="http://www.w3.org/ns/prov#Activity"/>
+                    <rdf:Description rdf:about="http://www.w3.org/ns/prov#Agent"/>
+                    <rdf:Description rdf:about="http://www.w3.org/ns/prov#Entity"/>
+                </owl:unionOf>
+            </owl:Class>
+        </owl:annotatedTarget>
+        <prov:definition>influencer: an identifier (o1) for an ancestor entity, activity, or agent that the former depends on;</prov:definition>
+        <prov:dm>http://www.w3.org/TR/2013/REC-prov-dm-20130430/#term-influence</prov:dm>
+    </owl:Axiom>
+    
+
+
+    <!-- http://www.w3.org/ns/prov#wasInformedBy -->
+
+    <owl:ObjectProperty rdf:about="http://www.w3.org/ns/prov#wasInformedBy">
+        <rdfs:subPropertyOf rdf:resource="http://www.w3.org/ns/prov#wasInfluencedBy"/>
+        <rdfs:domain rdf:resource="http://www.w3.org/ns/prov#Activity"/>
+        <rdfs:range rdf:resource="http://www.w3.org/ns/prov#Activity"/>
+        <rdfs:comment xml:lang="en">An activity a2 is dependent on or informed by another activity a1, by way of some unspecified entity that is generated by a1 and used by a2.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://www.w3.org/ns/prov-o#"/>
+        <rdfs:label>wasInformedBy</rdfs:label>
+        <prov:category>starting-point</prov:category>
+        <prov:component>entities-activities</prov:component>
+        <prov:inverse>informed</prov:inverse>
+        <prov:qualifiedForm rdf:resource="http://www.w3.org/ns/prov#Communication"/>
+        <prov:qualifiedForm rdf:resource="http://www.w3.org/ns/prov#qualifiedCommunication"/>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- https://w3id.org/mdo/calculation/hasXCFunctional -->
+
+    <owl:ObjectProperty rdf:about="https://w3id.org/mdo/calculation/hasXCFunctional">
+        <rdfs:domain rdf:resource="http://purls.helmholtz-metadaten.de/asmo/DensityFunctionalTheory"/>
+        <rdfs:domain rdf:resource="https://w3id.org/mdo/calculation/DensityFunctionalTheoryMethod"/>
+        <rdfs:range rdf:resource="https://w3id.org/mdo/calculation/ExchangeCorrelationEnergyFunctional"/>
+        <rdfs:comment xml:lang="en">hasXCFunctional represents the relationship between a density functional theory method and the exchange-correlation energy functionals it takes.</rdfs:comment>
+        <rdfs:label xml:lang="en">has XC functional</rdfs:label>
+    </owl:ObjectProperty>
+    
+
+
+    <!-- 
+    ///////////////////////////////////////////////////////////////////////////////////////
+    //
+    // Data properties
+    //
+    ///////////////////////////////////////////////////////////////////////////////////////
+     -->
+
+    
+
+
+    <!-- http://purls.helmholtz-metadaten.de/asmo/hasValue -->
+
+    <owl:DatatypeProperty rdf:about="http://purls.helmholtz-metadaten.de/asmo/hasValue">
+        <rdfs:label>has value</rdfs:label>
+    </owl:DatatypeProperty>
+    
+
+
+    <!-- http://purls.helmholtz-metadaten.de/cmso/hasReference -->
+
+    <owl:DatatypeProperty rdf:about="http://purls.helmholtz-metadaten.de/cmso/hasReference">
+        <rdfs:domain rdf:resource="http://www.w3.org/2002/07/owl#Thing"/>
+        <rdfs:range rdf:resource="http://www.w3.org/2000/01/rdf-schema#Literal"/>
+        <rdfs:label>has reference</rdfs:label>
+        <skos:definition>A data property linking an entity with a reference (e.g. bibliographic) to another resource.</skos:definition>
+    </owl:DatatypeProperty>
+    
+
+
+    <!-- http://www.w3.org/ns/prov#endedAtTime -->
+
+    <owl:DatatypeProperty rdf:about="http://www.w3.org/ns/prov#endedAtTime">
+        <rdfs:domain rdf:resource="http://www.w3.org/ns/prov#Activity"/>
+        <rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#dateTime"/>
+        <rdfs:comment xml:lang="en">The time at which an activity ended. See also prov:startedAtTime.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://www.w3.org/ns/prov-o#"/>
+        <rdfs:label>endedAtTime</rdfs:label>
+        <prov:category>starting-point</prov:category>
+        <prov:component>entities-activities</prov:component>
+        <prov:editorialNote xml:lang="en">It is the intent that the property chain holds: (prov:qualifiedEnd o prov:atTime) rdfs:subPropertyOf prov:endedAtTime.</prov:editorialNote>
+        <prov:qualifiedForm rdf:resource="http://www.w3.org/ns/prov#End"/>
+        <prov:qualifiedForm rdf:resource="http://www.w3.org/ns/prov#atTime"/>
+    </owl:DatatypeProperty>
+    
+
+
+    <!-- http://www.w3.org/ns/prov#startedAtTime -->
+
+    <owl:DatatypeProperty rdf:about="http://www.w3.org/ns/prov#startedAtTime">
+        <rdfs:domain rdf:resource="http://www.w3.org/ns/prov#Activity"/>
+        <rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#dateTime"/>
+        <rdfs:comment xml:lang="en">The time at which an activity started. See also prov:endedAtTime.</rdfs:comment>
+        <rdfs:isDefinedBy rdf:resource="http://www.w3.org/ns/prov-o#"/>
+        <rdfs:label>startedAtTime</rdfs:label>
+        <prov:category>starting-point</prov:category>
+        <prov:component>entities-activities</prov:component>
+        <prov:editorialNote xml:lang="en">It is the intent that the property chain holds: (prov:qualifiedStart o prov:atTime) rdfs:subPropertyOf prov:startedAtTime.</prov:editorialNote>
+        <prov:qualifiedForm rdf:resource="http://www.w3.org/ns/prov#Start"/>
+        <prov:qualifiedForm rdf:resource="http://www.w3.org/ns/prov#atTime"/>
+    </owl:DatatypeProperty>
+    
+
+
+    <!-- 
+    ///////////////////////////////////////////////////////////////////////////////////////
+    //
+    // Classes
+    //
+    ///////////////////////////////////////////////////////////////////////////////////////
+     -->
+
+    
+
+
+    <!-- http://purls.helmholtz-metadaten.de/asmo/AbInitioMolecularDynamics -->
+
+    <owl:Class rdf:about="http://purls.helmholtz-metadaten.de/asmo/AbInitioMolecularDynamics">
+        <rdfs:subClassOf rdf:resource="http://purls.helmholtz-metadaten.de/asmo/ComputationalMethod"/>
+        <rdfs:label>Ab Initio Molecular Dynamics</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purls.helmholtz-metadaten.de/asmo/ComputationalMethod -->
+
+    <owl:Class rdf:about="http://purls.helmholtz-metadaten.de/asmo/ComputationalMethod">
+        <rdfs:label>Computational Method</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purls.helmholtz-metadaten.de/asmo/DensityFunctionalTheory -->
+
+    <owl:Class rdf:about="http://purls.helmholtz-metadaten.de/asmo/DensityFunctionalTheory">
+        <owl:equivalentClass rdf:resource="https://w3id.org/mdo/calculation/DensityFunctionalTheoryMethod"/>
+        <rdfs:subClassOf rdf:resource="http://purls.helmholtz-metadaten.de/asmo/ComputationalMethod"/>
+        <rdfs:label>Density Functional Theory</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purls.helmholtz-metadaten.de/asmo/EmbeddedAtomModel -->
+
+    <owl:Class rdf:about="http://purls.helmholtz-metadaten.de/asmo/EmbeddedAtomModel">
+        <rdfs:subClassOf rdf:resource="http://purls.helmholtz-metadaten.de/asmo/InteratomicPotential"/>
+        <rdfs:label>Embedded Atom Model</rdfs:label>
+        <skos:altLabel>EAM</skos:altLabel>
+    </owl:Class>
+    
+
+
+    <!-- http://purls.helmholtz-metadaten.de/asmo/EnergyDifferenceCalculation -->
+
+    <owl:Class rdf:about="http://purls.helmholtz-metadaten.de/asmo/EnergyDifferenceCalculation">
+        <rdfs:subClassOf rdf:resource="http://www.w3.org/ns/prov#Activity"/>
+        <rdfs:label>Energy Difference Calculation</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purls.helmholtz-metadaten.de/asmo/InputParameter -->
+
+    <owl:Class rdf:about="http://purls.helmholtz-metadaten.de/asmo/InputParameter">
+        <rdfs:label>Input Parameter</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purls.helmholtz-metadaten.de/asmo/InteratomicPotential -->
+
+    <owl:Class rdf:about="http://purls.helmholtz-metadaten.de/asmo/InteratomicPotential">
+        <rdfs:label>Interatomic Potential</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purls.helmholtz-metadaten.de/asmo/KineticMonteCarloMethod -->
+
+    <owl:Class rdf:about="http://purls.helmholtz-metadaten.de/asmo/KineticMonteCarloMethod">
+        <rdfs:subClassOf rdf:resource="http://purls.helmholtz-metadaten.de/asmo/MonteCarloMethod"/>
+        <rdfs:label>Kinetic Monte Carlo Method</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purls.helmholtz-metadaten.de/asmo/Lennard-JonesPotential -->
+
+    <owl:Class rdf:about="http://purls.helmholtz-metadaten.de/asmo/Lennard-JonesPotential">
+        <rdfs:subClassOf rdf:resource="http://purls.helmholtz-metadaten.de/asmo/InteratomicPotential"/>
+        <rdfs:label>Lennard-Jones Potential</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purls.helmholtz-metadaten.de/asmo/MachineLearningPotential -->
+
+    <owl:Class rdf:about="http://purls.helmholtz-metadaten.de/asmo/MachineLearningPotential">
+        <rdfs:subClassOf rdf:resource="http://purls.helmholtz-metadaten.de/asmo/InteratomicPotential"/>
+        <rdfs:label>Machine Learning Potential</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purls.helmholtz-metadaten.de/asmo/ModifiedEmbeddedAtomModel -->
+
+    <owl:Class rdf:about="http://purls.helmholtz-metadaten.de/asmo/ModifiedEmbeddedAtomModel">
+        <rdfs:subClassOf rdf:resource="http://purls.helmholtz-metadaten.de/asmo/InteratomicPotential"/>
+        <rdfs:label>Modified Embedded Atom Model</rdfs:label>
+        <skos:altLabel>MEAM</skos:altLabel>
+    </owl:Class>
+    
+
+
+    <!-- http://purls.helmholtz-metadaten.de/asmo/MolecularDynamics -->
+
+    <owl:Class rdf:about="http://purls.helmholtz-metadaten.de/asmo/MolecularDynamics">
+        <rdfs:subClassOf rdf:resource="http://purls.helmholtz-metadaten.de/asmo/ComputationalMethod"/>
+        <rdfs:label>Molecular Dynamics</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purls.helmholtz-metadaten.de/asmo/MonteCarloMethod -->
+
+    <owl:Class rdf:about="http://purls.helmholtz-metadaten.de/asmo/MonteCarloMethod">
+        <rdfs:subClassOf rdf:resource="http://purls.helmholtz-metadaten.de/asmo/ComputationalMethod"/>
+        <rdfs:label>Monte Carlo Method</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purls.helmholtz-metadaten.de/asmo/RelaxationDOF -->
+
+    <owl:Class rdf:about="http://purls.helmholtz-metadaten.de/asmo/RelaxationDOF">
+        <rdfs:label>Relaxation Degrees of Freedom</rdfs:label>
+        <skos:altLabel>RelaxationDOF</skos:altLabel>
+    </owl:Class>
+    
+
+
+    <!-- http://purls.helmholtz-metadaten.de/asmo/StatisticalEnsemble -->
+
+    <owl:Class rdf:about="http://purls.helmholtz-metadaten.de/asmo/StatisticalEnsemble">
+        <rdfs:label>Statistical Ensemble</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purls.helmholtz-metadaten.de/asmo/StructureOptimization -->
+
+    <owl:Class rdf:about="http://purls.helmholtz-metadaten.de/asmo/StructureOptimization">
+        <rdfs:subClassOf rdf:resource="http://www.w3.org/ns/prov#Activity"/>
+        <rdfs:label>Structure Optimization</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://purls.helmholtz-metadaten.de/cmso/CalculatedProperty -->
+
+    <owl:Class rdf:about="http://purls.helmholtz-metadaten.de/cmso/CalculatedProperty">
+        <rdfs:label>Calculated Property</rdfs:label>
+        <skos:definition>A calculated property is a property of a material resulting from a calculation or simulation.</skos:definition>
+    </owl:Class>
+    
+
+
+    <!-- http://qudt.org/schema/qudt/Unit -->
+
+    <owl:Class rdf:about="http://qudt.org/schema/qudt/Unit">
+        <terms:description rdf:datatype="http://qudt.org/schema/qudt/LatexString">A unit of measure, or unit, is a particular quantity value that has been chosen as a scale for measuring other quantities the same kind (more generally of equivalent dimension). For example, the meter is a quantity of length that has been rigorously defined and standardized by the BIPM (International Board of Weights and Measures). Any measurement of the length can be expressed as a number multiplied by the unit meter. More formally, the value of a physical quantity Q with respect to a unit (U) is expressed as the scalar multiple of a real number (n) and U, as  \(Q = nU\).</terms:description>
+        <rdfs:isDefinedBy rdf:resource="http://qudt.org/2.1/schema/qudt"/>
+        <rdfs:label>Unit</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- http://www.w3.org/ns/prov#Activity -->
+
+    <owl:Class rdf:about="http://www.w3.org/ns/prov#Activity">
+        <owl:disjointWith rdf:resource="http://www.w3.org/ns/prov#Entity"/>
+        <rdfs:isDefinedBy rdf:resource="http://www.w3.org/ns/prov-o#"/>
+        <rdfs:label>Activity</rdfs:label>
+        <prov:category>starting-point</prov:category>
+        <prov:component>entities-activities</prov:component>
+        <prov:constraints rdf:datatype="http://www.w3.org/2001/XMLSchema#anyURI">http://www.w3.org/TR/2013/REC-prov-constraints-20130430/#prov-dm-constraints-fig</prov:constraints>
+        <prov:definition>An activity is something that occurs over a period of time and acts upon or with entities; it may include consuming, processing, transforming, modifying, relocating, using, or generating entities.</prov:definition>
+        <prov:dm rdf:datatype="http://www.w3.org/2001/XMLSchema#anyURI">http://www.w3.org/TR/2013/REC-prov-dm-20130430/#term-Activity</prov:dm>
+        <prov:n rdf:datatype="http://www.w3.org/2001/XMLSchema#anyURI">http://www.w3.org/TR/2013/REC-prov-n-20130430/#expression-Activity</prov:n>
+    </owl:Class>
+    
+
+
+    <!-- http://www.w3.org/ns/prov#Agent -->
+
+    <owl:Class rdf:about="http://www.w3.org/ns/prov#Agent">
+        <rdfs:isDefinedBy rdf:resource="http://www.w3.org/ns/prov-o#"/>
+        <rdfs:label>Agent</rdfs:label>
+        <prov:category>starting-point</prov:category>
+        <prov:component>agents-responsibility</prov:component>
+        <prov:definition xml:lang="en">An agent is something that bears some form of responsibility for an activity taking place, for the existence of an entity, or for another agent&apos;s activity. </prov:definition>
+        <prov:dm rdf:datatype="http://www.w3.org/2001/XMLSchema#anyURI">http://www.w3.org/TR/2013/REC-prov-dm-20130430/#term-agent</prov:dm>
+        <prov:n rdf:datatype="http://www.w3.org/2001/XMLSchema#anyURI">http://www.w3.org/TR/2013/REC-prov-n-20130430/#expression-Agent</prov:n>
+    </owl:Class>
+    
+
+
+    <!-- http://www.w3.org/ns/prov#Entity -->
+
+    <owl:Class rdf:about="http://www.w3.org/ns/prov#Entity">
+        <rdfs:isDefinedBy rdf:resource="http://www.w3.org/ns/prov-o#"/>
+        <rdfs:label>Entity</rdfs:label>
+        <prov:category>starting-point</prov:category>
+        <prov:component>entities-activities</prov:component>
+        <prov:constraints rdf:datatype="http://www.w3.org/2001/XMLSchema#anyURI">http://www.w3.org/TR/2013/REC-prov-constraints-20130430/#prov-dm-constraints-fig</prov:constraints>
+        <prov:definition xml:lang="en">An entity is a physical, digital, conceptual, or other kind of thing with some fixed aspects; entities may be real or imaginary. </prov:definition>
+        <prov:dm rdf:datatype="http://www.w3.org/2001/XMLSchema#anyURI">http://www.w3.org/TR/2013/REC-prov-dm-20130430/#term-entity</prov:dm>
+        <prov:n rdf:datatype="http://www.w3.org/2001/XMLSchema#anyURI">http://www.w3.org/TR/2013/REC-prov-n-20130430/#expression-Entity</prov:n>
+    </owl:Class>
+    
+
+
+    <!-- http://www.w3.org/ns/prov#Organization -->
+
+    <owl:Class rdf:about="http://www.w3.org/ns/prov#Organization">
+        <rdfs:subClassOf rdf:resource="http://www.w3.org/ns/prov#Agent"/>
+        <rdfs:isDefinedBy rdf:resource="http://www.w3.org/ns/prov-o#"/>
+        <rdfs:label>Organization</rdfs:label>
+        <prov:category>expanded</prov:category>
+        <prov:component>agents-responsibility</prov:component>
+        <prov:definition>An organization is a social or legal institution such as a company, society, etc.</prov:definition>
+        <prov:dm rdf:datatype="http://www.w3.org/2001/XMLSchema#anyURI">http://www.w3.org/TR/2013/REC-prov-dm-20130430/#term-agent</prov:dm>
+        <prov:n rdf:datatype="http://www.w3.org/2001/XMLSchema#anyURI">http://www.w3.org/TR/2013/REC-prov-n-20130430/#expression-types</prov:n>
+    </owl:Class>
+    
+
+
+    <!-- http://www.w3.org/ns/prov#Person -->
+
+    <owl:Class rdf:about="http://www.w3.org/ns/prov#Person">
+        <rdfs:subClassOf rdf:resource="http://www.w3.org/ns/prov#Agent"/>
+        <rdfs:isDefinedBy rdf:resource="http://www.w3.org/ns/prov-o#"/>
+        <rdfs:label>Person</rdfs:label>
+        <prov:category>expanded</prov:category>
+        <prov:component>agents-responsibility</prov:component>
+        <prov:definition xml:lang="en">Person agents are people.</prov:definition>
+        <prov:dm rdf:datatype="http://www.w3.org/2001/XMLSchema#anyURI">http://www.w3.org/TR/2013/REC-prov-dm-20130430/#term-agent</prov:dm>
+        <prov:n rdf:datatype="http://www.w3.org/2001/XMLSchema#anyURI">http://www.w3.org/TR/2013/REC-prov-n-20130430/#expression-types</prov:n>
+    </owl:Class>
+    
+
+
+    <!-- http://www.w3.org/ns/prov#SoftwareAgent -->
+
+    <owl:Class rdf:about="http://www.w3.org/ns/prov#SoftwareAgent">
+        <rdfs:subClassOf rdf:resource="http://www.w3.org/ns/prov#Agent"/>
+        <rdfs:isDefinedBy rdf:resource="http://www.w3.org/ns/prov-o#"/>
+        <rdfs:label>SoftwareAgent</rdfs:label>
+        <prov:category>expanded</prov:category>
+        <prov:component>agents-responsibility</prov:component>
+        <prov:definition xml:lang="en">A software agent is running software.</prov:definition>
+        <prov:dm rdf:datatype="http://www.w3.org/2001/XMLSchema#anyURI">http://www.w3.org/TR/2013/REC-prov-dm-20130430/#term-agent</prov:dm>
+        <prov:n rdf:datatype="http://www.w3.org/2001/XMLSchema#anyURI">http://www.w3.org/TR/2013/REC-prov-n-20130430/#expression-types</prov:n>
+    </owl:Class>
+    
+
+
+    <!-- https://w3id.org/mdo/calculation/DensityFunctionalTheoryMethod -->
+
+    <owl:Class rdf:about="https://w3id.org/mdo/calculation/DensityFunctionalTheoryMethod">
+        <rdfs:subClassOf>
+            <owl:Class>
+                <owl:intersectionOf rdf:parseType="Collection">
+                    <owl:Restriction>
+                        <owl:onProperty rdf:resource="https://w3id.org/mdo/calculation/hasXCFunctional"/>
+                        <owl:someValuesFrom rdf:resource="https://w3id.org/mdo/calculation/ExchangeCorrelationEnergyFunctional"/>
+                    </owl:Restriction>
+                    <owl:Restriction>
+                        <owl:onProperty rdf:resource="https://w3id.org/mdo/calculation/hasXCFunctional"/>
+                        <owl:allValuesFrom rdf:resource="https://w3id.org/mdo/calculation/ExchangeCorrelationEnergyFunctional"/>
+                    </owl:Restriction>
+                </owl:intersectionOf>
+            </owl:Class>
+        </rdfs:subClassOf>
+        <rdfs:comment xml:lang="en">A DFT method is a computational quantum mechanical modelling method used to investigate the electronic structure based on optimization of the energy over electronic densities.</rdfs:comment>
+        <rdfs:label xml:lang="en">Density Functional Theory Method</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- https://w3id.org/mdo/calculation/ExchangeCorrelationEnergyFunctional -->
+
+    <owl:Class rdf:about="https://w3id.org/mdo/calculation/ExchangeCorrelationEnergyFunctional">
+        <rdfs:comment xml:lang="en">An ExchangeCorrelationEnergyFunctional is a functional to compute the exchange correlation energy.</rdfs:comment>
+        <rdfs:label xml:lang="en">Exchange Correlation Energy Functional</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- https://w3id.org/mdo/calculation/GeneralizedGradientApproximation -->
+
+    <owl:Class rdf:about="https://w3id.org/mdo/calculation/GeneralizedGradientApproximation">
+        <rdfs:subClassOf rdf:resource="https://w3id.org/mdo/calculation/ExchangeCorrelationEnergyFunctional"/>
+        <rdfs:comment xml:lang="en">A GeneralizedGradientApproximation is a classification of exchange correlation energy functionals that only use the local value of the electronic density and its gradient.</rdfs:comment>
+        <rdfs:label xml:lang="en">Generalized Gradient Approximation</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- https://w3id.org/mdo/calculation/HybridFunctional -->
+
+    <owl:Class rdf:about="https://w3id.org/mdo/calculation/HybridFunctional">
+        <rdfs:subClassOf rdf:resource="https://w3id.org/mdo/calculation/ExchangeCorrelationEnergyFunctional"/>
+        <rdfs:comment xml:lang="en">A hybrid functional is a classification of exchange correlation energy functionals that combine exact exchange from HartreeFock theory with another exchange correlation energy approximation.</rdfs:comment>
+        <rdfs:label xml:lang="en">Hybrid Functional</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- https://w3id.org/mdo/calculation/HybridGeneralizedGradientApproximation -->
+
+    <owl:Class rdf:about="https://w3id.org/mdo/calculation/HybridGeneralizedGradientApproximation">
+        <rdfs:subClassOf rdf:resource="https://w3id.org/mdo/calculation/HybridFunctional"/>
+        <rdfs:comment xml:lang="en">A hybrid generalized gradient approximation is a classification of exchange correlation energy functionals that combine exact exchange from Hartree–Fock theory with generalized gradient approximation.</rdfs:comment>
+        <rdfs:label xml:lang="en">Hybrid Generalized Gradient Approximation</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- https://w3id.org/mdo/calculation/HybridMetaGeneralizedGradientApproximation -->
+
+    <owl:Class rdf:about="https://w3id.org/mdo/calculation/HybridMetaGeneralizedGradientApproximation">
+        <rdfs:subClassOf rdf:resource="https://w3id.org/mdo/calculation/HybridFunctional"/>
+        <rdfs:comment xml:lang="en">A hybrid meta generalized gradient approximation is a classification of exchange correlation energy functionals that combine exact exchange from Hartree–Fock theory with meta generalized gradient approximation.</rdfs:comment>
+        <rdfs:label xml:lang="en">Hybrid Meta Generalized Gradient Approximation</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- https://w3id.org/mdo/calculation/LocalDensityApproximation -->
+
+    <owl:Class rdf:about="https://w3id.org/mdo/calculation/LocalDensityApproximation">
+        <rdfs:subClassOf rdf:resource="https://w3id.org/mdo/calculation/ExchangeCorrelationEnergyFunctional"/>
+        <rdfs:comment xml:lang="en">A LDA is a classification of exchange correlation energy functionals that only use the local value of the electronic density.</rdfs:comment>
+        <rdfs:label xml:lang="en">Local Density Approximation</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- https://w3id.org/mdo/calculation/MetaGeneralizedGradientApproximation -->
+
+    <owl:Class rdf:about="https://w3id.org/mdo/calculation/MetaGeneralizedGradientApproximation">
+        <rdfs:subClassOf rdf:resource="https://w3id.org/mdo/calculation/ExchangeCorrelationEnergyFunctional"/>
+        <rdfs:comment xml:lang="en">A MetaGeneralizedGradientApproximation is a classification of exchange correlation energy functionals that only use the local value of the electronic density and its gradient and the Kohn–Sham orbital kinetic energy density.</rdfs:comment>
+        <rdfs:label xml:lang="en">Meta Generalized Gradient Approximation</rdfs:label>
+    </owl:Class>
+    
+
+
+    <!-- 
+    ///////////////////////////////////////////////////////////////////////////////////////
+    //
+    // Individuals
+    //
+    ///////////////////////////////////////////////////////////////////////////////////////
+     -->
+
+    
+
+
+    <!-- http://purls.helmholtz-metadaten.de/asmo/AtomicPosition -->
+
+    <owl:NamedIndividual rdf:about="http://purls.helmholtz-metadaten.de/asmo/AtomicPosition">
+        <rdf:type rdf:resource="http://purls.helmholtz-metadaten.de/asmo/RelaxationDOF"/>
+        <rdfs:label>Atomic Position</rdfs:label>
+    </owl:NamedIndividual>
+    
+
+
+    <!-- http://purls.helmholtz-metadaten.de/asmo/CanonicalEnsemble -->
+
+    <owl:NamedIndividual rdf:about="http://purls.helmholtz-metadaten.de/asmo/CanonicalEnsemble">
+        <rdf:type rdf:resource="http://purls.helmholtz-metadaten.de/asmo/StatisticalEnsemble"/>
+        <rdfs:label>Canonical Ensemble</rdfs:label>
+    </owl:NamedIndividual>
+    
+
+
+    <!-- http://purls.helmholtz-metadaten.de/asmo/CellShape -->
+
+    <owl:NamedIndividual rdf:about="http://purls.helmholtz-metadaten.de/asmo/CellShape">
+        <rdf:type rdf:resource="http://purls.helmholtz-metadaten.de/asmo/RelaxationDOF"/>
+        <rdfs:label>Cell Shape</rdfs:label>
+    </owl:NamedIndividual>
+    
+
+
+    <!-- http://purls.helmholtz-metadaten.de/asmo/CellVolume -->
+
+    <owl:NamedIndividual rdf:about="http://purls.helmholtz-metadaten.de/asmo/CellVolume">
+        <rdf:type rdf:resource="http://purls.helmholtz-metadaten.de/asmo/RelaxationDOF"/>
+        <rdfs:label>Cell Volume</rdfs:label>
+    </owl:NamedIndividual>
+    
+
+
+    <!-- http://purls.helmholtz-metadaten.de/asmo/GrandCanonicalEnsemble -->
+
+    <owl:NamedIndividual rdf:about="http://purls.helmholtz-metadaten.de/asmo/GrandCanonicalEnsemble">
+        <rdf:type rdf:resource="http://purls.helmholtz-metadaten.de/asmo/StatisticalEnsemble"/>
+        <rdfs:label>Grand Canonical Ensemble</rdfs:label>
+    </owl:NamedIndividual>
+    
+
+
+    <!-- http://purls.helmholtz-metadaten.de/asmo/MicrocanonicalEnsemble -->
+
+    <owl:NamedIndividual rdf:about="http://purls.helmholtz-metadaten.de/asmo/MicrocanonicalEnsemble">
+        <rdf:type rdf:resource="http://purls.helmholtz-metadaten.de/asmo/StatisticalEnsemble"/>
+        <rdfs:label>Microcanonical Ensemble</rdfs:label>
+    </owl:NamedIndividual>
+    
+
+
+    <!-- http://purls.helmholtz-metadaten.de/asmo/Isoenthalpic–isobaricEnsemble -->
+
+    <owl:NamedIndividual rdf:about="http://purls.helmholtz-metadaten.de/asmo/Isoenthalpic–isobaricEnsemble">
+        <rdf:type rdf:resource="http://purls.helmholtz-metadaten.de/asmo/StatisticalEnsemble"/>
+        <rdfs:label>Isoenthalpic–Isobaric Ensemble</rdfs:label>
+    </owl:NamedIndividual>
+    
+
+
+    <!-- http://purls.helmholtz-metadaten.de/asmo/Isothermal–isobaricEnsemble -->
+
+    <owl:NamedIndividual rdf:about="http://purls.helmholtz-metadaten.de/asmo/Isothermal–isobaricEnsemble">
+        <rdf:type rdf:resource="http://purls.helmholtz-metadaten.de/asmo/StatisticalEnsemble"/>
+        <rdfs:label>Isothermal–isobaric Ensemble</rdfs:label>
+    </owl:NamedIndividual>
+</rdf:RDF>
+
+
+
+<!-- Generated by the OWL API (version 4.5.9.2019-02-01T07:24:44Z) https://github.com/owlcs/owlapi -->
+
diff --git a/pyscal_rdf/data/cmso.owl b/pyscal_rdf/data/cmso.owl
index 57004b1..3c471ae 100644
--- a/pyscal_rdf/data/cmso.owl
+++ b/pyscal_rdf/data/cmso.owl
@@ -231,17 +231,6 @@
     
 
 
-    <!-- http://purls.helmholtz-metadaten.de/cmso/hasAtom -->
-
-    <owl:ObjectProperty rdf:about="http://purls.helmholtz-metadaten.de/cmso/hasAtom">
-        <rdfs:domain rdf:resource="http://purls.helmholtz-metadaten.de/cmso/AtomicScaleSample"/>
-        <rdfs:range rdf:resource="http://purls.helmholtz-metadaten.de/cmso/Atom"/>
-        <rdfs:label>has atom</rdfs:label>
-        <skos:definition>The relation between an atomic scale sample and the atoms it contains.</skos:definition>
-    </owl:ObjectProperty>
-    
-
-
     <!-- http://purls.helmholtz-metadaten.de/cmso/hasBasis -->
 
     <owl:ObjectProperty rdf:about="http://purls.helmholtz-metadaten.de/cmso/hasBasis">
@@ -322,25 +311,6 @@
     
 
 
-    <!-- http://purls.helmholtz-metadaten.de/cmso/hasPositionVector -->
-
-    <owl:ObjectProperty rdf:about="http://purls.helmholtz-metadaten.de/cmso/hasPositionVector">
-        <rdfs:subPropertyOf rdf:resource="http://purls.helmholtz-metadaten.de/cmso/hasVector"/>
-        <rdfs:domain>
-            <owl:Class>
-                <owl:unionOf rdf:parseType="Collection">
-                    <rdf:Description rdf:about="http://purls.helmholtz-metadaten.de/cmso/Atom"/>
-                    <rdf:Description rdf:about="http://purls.helmholtz-metadaten.de/cmso/Basis"/>
-                </owl:unionOf>
-            </owl:Class>
-        </rdfs:domain>
-        <rdfs:range rdf:resource="http://purls.helmholtz-metadaten.de/cmso/PositionVector"/>
-        <rdfs:label>has position vector</rdfs:label>
-        <skos:definition>The relation between an atom or basis and its position vector.</skos:definition>
-    </owl:ObjectProperty>
-    
-
-
     <!-- http://purls.helmholtz-metadaten.de/cmso/hasSimulationCell -->
 
     <owl:ObjectProperty rdf:about="http://purls.helmholtz-metadaten.de/cmso/hasSimulationCell">
@@ -366,10 +336,10 @@
     <!-- http://purls.helmholtz-metadaten.de/cmso/hasSpecies -->
 
     <owl:ObjectProperty rdf:about="http://purls.helmholtz-metadaten.de/cmso/hasSpecies">
-        <rdfs:domain rdf:resource="http://purls.helmholtz-metadaten.de/cmso/Material"/>
+        <rdfs:domain rdf:resource="http://purls.helmholtz-metadaten.de/cmso/ComputationalSample"/>
         <rdfs:range rdf:resource="http://purls.helmholtz-metadaten.de/cmso/ChemicalSpecies"/>
         <rdfs:label>has species</rdfs:label>
-        <skos:definition>The relation between a material and the species that constitutes it.</skos:definition>
+        <skos:definition>The relation between a computational sample and the species that constitutes it.</skos:definition>
     </owl:ObjectProperty>
     
 
@@ -392,6 +362,7 @@
             <owl:Class>
                 <owl:unionOf rdf:parseType="Collection">
                     <rdf:Description rdf:about="http://purls.helmholtz-metadaten.de/cmso/Angle"/>
+                    <rdf:Description rdf:about="http://purls.helmholtz-metadaten.de/cmso/AtomAttribute"/>
                     <rdf:Description rdf:about="http://purls.helmholtz-metadaten.de/cmso/CalculatedProperty"/>
                     <rdf:Description rdf:about="http://purls.helmholtz-metadaten.de/cmso/Length"/>
                     <rdf:Description rdf:about="http://purls.helmholtz-metadaten.de/cmso/Vector"/>
@@ -514,6 +485,18 @@
     
 
 
+    <!-- http://purls.helmholtz-metadaten.de/cmso/hasAtomicPercent -->
+
+    <owl:DatatypeProperty rdf:about="http://purls.helmholtz-metadaten.de/cmso/hasAtomicPercent">
+        <rdfs:domain rdf:resource="http://purls.helmholtz-metadaten.de/cmso/ChemicalElement"/>
+        <rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#float"/>
+        <rdfs:comment>abbreviated at.%</rdfs:comment>
+        <rdfs:label>has atomic percent</rdfs:label>
+        <skos:definition>A data property linking a chemical element with atomic percentage present in the material.</skos:definition>
+    </owl:DatatypeProperty>
+    
+
+
     <!-- http://purls.helmholtz-metadaten.de/cmso/hasChemicalSymbol -->
 
     <owl:DatatypeProperty rdf:about="http://purls.helmholtz-metadaten.de/cmso/hasChemicalSymbol">
@@ -559,24 +542,25 @@
     
 
 
-    <!-- http://purls.helmholtz-metadaten.de/cmso/hasCoordinationNumber -->
+    <!-- http://purls.helmholtz-metadaten.de/cmso/hasElementRatio -->
 
-    <owl:DatatypeProperty rdf:about="http://purls.helmholtz-metadaten.de/cmso/hasCoordinationNumber">
-        <rdfs:domain rdf:resource="http://purls.helmholtz-metadaten.de/cmso/Atom"/>
-        <rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#integer"/>
-        <rdfs:label>has coordination number</rdfs:label>
-        <skos:definition>A data property linking an atom with its coordination number. The coordination number of an atom in an extended structure is the number of nearest neighbors.</skos:definition>
+    <owl:DatatypeProperty rdf:about="http://purls.helmholtz-metadaten.de/cmso/hasElementRatio">
+        <rdfs:domain rdf:resource="http://purls.helmholtz-metadaten.de/cmso/ChemicalElement"/>
+        <rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#float"/>
+        <rdfs:comment>Indicated with a value from 0 to 1.</rdfs:comment>
+        <rdfs:label>has element ratio</rdfs:label>
+        <skos:definition>A data property linking a chemical element with the ratio or fraction of it in the material.</skos:definition>
     </owl:DatatypeProperty>
     
 
 
-    <!-- http://purls.helmholtz-metadaten.de/cmso/hasElementRatio -->
+    <!-- http://purls.helmholtz-metadaten.de/cmso/hasIdentifier -->
 
-    <owl:DatatypeProperty rdf:about="http://purls.helmholtz-metadaten.de/cmso/hasElementRatio">
-        <rdfs:domain rdf:resource="http://purls.helmholtz-metadaten.de/cmso/Material"/>
+    <owl:DatatypeProperty rdf:about="http://purls.helmholtz-metadaten.de/cmso/hasIdentifier">
+        <rdfs:domain rdf:resource="http://www.w3.org/2002/07/owl#Thing"/>
         <rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#string"/>
-        <rdfs:label>has element ratio</rdfs:label>
-        <skos:definition>A data property linking a material with the ratio or fraction of an element that constitutes it. Comment: indicated with a value from 0 to 1.</skos:definition>
+        <rdfs:label>has identifier</rdfs:label>
+        <skos:definition>A data property linking an entity with an identifier (internal or external) that represents the entity.</skos:definition>
     </owl:DatatypeProperty>
     
 
@@ -657,6 +641,17 @@
     
 
 
+    <!-- http://purls.helmholtz-metadaten.de/cmso/hasPath -->
+
+    <owl:DatatypeProperty rdf:about="http://purls.helmholtz-metadaten.de/cmso/hasPath">
+        <rdfs:domain rdf:resource="http://purls.helmholtz-metadaten.de/cmso/AtomAttribute"/>
+        <rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#string"/>
+        <rdfs:label>has path</rdfs:label>
+        <skos:definition>A data property linking an atom attribute (per atom quantity) with the path pointing to the file where the data is stored.</skos:definition>
+    </owl:DatatypeProperty>
+    
+
+
     <!-- http://purls.helmholtz-metadaten.de/cmso/hasReference -->
 
     <owl:DatatypeProperty rdf:about="http://purls.helmholtz-metadaten.de/cmso/hasReference">
@@ -756,6 +751,18 @@
     
 
 
+    <!-- http://purls.helmholtz-metadaten.de/cmso/hasWeightPercent -->
+
+    <owl:DatatypeProperty rdf:about="http://purls.helmholtz-metadaten.de/cmso/hasWeightPercent">
+        <rdfs:domain rdf:resource="http://purls.helmholtz-metadaten.de/cmso/ChemicalElement"/>
+        <rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#float"/>
+        <rdfs:comment>abbreviated wt.%</rdfs:comment>
+        <rdfs:label>has weight percent</rdfs:label>
+        <skos:definition>A data property linking a chemical element with percentage by mass present in the material.</skos:definition>
+    </owl:DatatypeProperty>
+    
+
+
     <!-- 
     ///////////////////////////////////////////////////////////////////////////////////////
     //
@@ -799,6 +806,36 @@
     
 
 
+    <!-- http://purls.helmholtz-metadaten.de/cmso/AtomAttribute -->
+
+    <owl:Class rdf:about="http://purls.helmholtz-metadaten.de/cmso/AtomAttribute">
+        <rdfs:label>Atom Attribute</rdfs:label>
+        <skos:definition>Atom attribute refers to the features or quantities per atom of an atomic scale sample.</skos:definition>
+    </owl:Class>
+    
+
+
+    <!-- http://purls.helmholtz-metadaten.de/cmso/AtomicForce -->
+
+    <owl:Class rdf:about="http://purls.helmholtz-metadaten.de/cmso/AtomicForce">
+        <rdfs:subClassOf rdf:resource="http://purls.helmholtz-metadaten.de/cmso/AtomAttribute"/>
+        <rdfs:label>Atomic Force</rdfs:label>
+        <skos:definition>Atomic force refers to the vector that represents the force of each atom.</skos:definition>
+    </owl:Class>
+    
+
+
+    <!-- http://purls.helmholtz-metadaten.de/cmso/AtomicPosition -->
+
+    <owl:Class rdf:about="http://purls.helmholtz-metadaten.de/cmso/AtomicPosition">
+        <rdfs:subClassOf rdf:resource="http://purls.helmholtz-metadaten.de/cmso/AtomAttribute"/>
+        <rdfs:comment>Cartesian coordinates are preferred over direct (or fractional) coordinates.</rdfs:comment>
+        <rdfs:label>Atomic Position</rdfs:label>
+        <skos:definition>Atomic position refers to the vector that represents the position of each atom.</skos:definition>
+    </owl:Class>
+    
+
+
     <!-- http://purls.helmholtz-metadaten.de/cmso/AtomicScaleSample -->
 
     <owl:Class rdf:about="http://purls.helmholtz-metadaten.de/cmso/AtomicScaleSample">
@@ -809,6 +846,16 @@
     
 
 
+    <!-- http://purls.helmholtz-metadaten.de/cmso/AtomicVelocity -->
+
+    <owl:Class rdf:about="http://purls.helmholtz-metadaten.de/cmso/AtomicVelocity">
+        <rdfs:subClassOf rdf:resource="http://purls.helmholtz-metadaten.de/cmso/AtomAttribute"/>
+        <rdfs:label>Atomic Velocity</rdfs:label>
+        <skos:definition>Atomic velocity refers to the vector that represents the velocity of each atom.</skos:definition>
+    </owl:Class>
+    
+
+
     <!-- http://purls.helmholtz-metadaten.de/cmso/Basis -->
 
     <owl:Class rdf:about="http://purls.helmholtz-metadaten.de/cmso/Basis">
@@ -827,6 +874,15 @@
     
 
 
+    <!-- http://purls.helmholtz-metadaten.de/cmso/ChemicalComposition -->
+
+    <owl:Class rdf:about="http://purls.helmholtz-metadaten.de/cmso/ChemicalComposition">
+        <rdfs:label>Chemical Composition</rdfs:label>
+        <skos:definition>Chemical composition refers to the type, arrangement and ratio of the chemical elements of a compound (or material).</skos:definition>
+    </owl:Class>
+    
+
+
     <!-- http://purls.helmholtz-metadaten.de/cmso/ChemicalElement -->
 
     <owl:Class rdf:about="http://purls.helmholtz-metadaten.de/cmso/ChemicalElement">
@@ -857,6 +913,17 @@
     
 
 
+    <!-- http://purls.helmholtz-metadaten.de/cmso/CoordinationNumber -->
+
+    <owl:Class rdf:about="http://purls.helmholtz-metadaten.de/cmso/CoordinationNumber">
+        <rdfs:subClassOf rdf:resource="http://purls.helmholtz-metadaten.de/cmso/AtomAttribute"/>
+        <rdfs:comment>In the case of molecules, it refers to the number of atoms, molecules or ions bonded to a central atom of the molecule. Also known as ligancy.</rdfs:comment>
+        <rdfs:label>Coordination Number</rdfs:label>
+        <skos:definition>Coordination number refers to the number of neighbors of each atom.</skos:definition>
+    </owl:Class>
+    
+
+
     <!-- http://purls.helmholtz-metadaten.de/cmso/CrystalDefect -->
 
     <owl:Class rdf:about="http://purls.helmholtz-metadaten.de/cmso/CrystalDefect">
@@ -1013,13 +1080,13 @@
     
 
 
-    <!-- http://purls.helmholtz-metadaten.de/cmso/PositionVector -->
+    <!-- http://purls.helmholtz-metadaten.de/cmso/Occupancy -->
 
-    <owl:Class rdf:about="http://purls.helmholtz-metadaten.de/cmso/PositionVector">
-        <rdfs:subClassOf rdf:resource="http://purls.helmholtz-metadaten.de/cmso/Vector"/>
-        <rdfs:comment>Cartesian coordinates are preferred over direct (or fractional) coordinates.</rdfs:comment>
-        <rdfs:label>Position Vector</rdfs:label>
-        <skos:definition>The position vector is a vector that represents the position of the atoms.</skos:definition>
+    <owl:Class rdf:about="http://purls.helmholtz-metadaten.de/cmso/Occupancy">
+        <rdfs:subClassOf rdf:resource="http://purls.helmholtz-metadaten.de/cmso/AtomAttribute"/>
+        <rdfs:comment>Note the difference from a total ratio or percentage of the occupancy of a site in the crystal structure (as defined in CIF)</rdfs:comment>
+        <rdfs:label>Occupancy</rdfs:label>
+        <skos:definition>Occupancy refers to the atom type at each lattice site.</skos:definition>
     </owl:Class>
     
 
diff --git a/pyscal_rdf/data/element.yml b/pyscal_rdf/data/element.yml
new file mode 100644
index 0000000..577984e
--- /dev/null
+++ b/pyscal_rdf/data/element.yml
@@ -0,0 +1,61 @@
+Ac: https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:33337
+Ag: https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:30512
+Al: https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:28984
+Ar: https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:49475
+Au: https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:29287
+Ba: https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:32594
+Be: https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:30501
+Ca: https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:22984
+Cd: https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:22977
+Ce: https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:33369
+Co: https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:27638
+Cr: https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:28073
+Cs: https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:30514
+Cu: https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:28694
+Dy: https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:33377
+Er: https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:33379
+Eu: https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:32999
+Fe: https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:18248
+Gd: https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:33375
+Ge: https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:30441
+He: https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:30217
+Hf: https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:33343
+Ho: https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:49648
+Ir: https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:49666
+Kr: https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:49696
+La: https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:33336
+Li: https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:30145
+Lu: https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:33382
+Mg: https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:25107
+Mo: https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:28685
+Na: https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:26708
+Nb: https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:33344
+Nd: https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:33372
+Ne: https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:33310
+Ni: https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:28112
+Os: https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:30687
+Pb: https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:25016
+Pd: https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:33363
+Po: https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:33313
+Pr: https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:49828
+Pt: https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:33364
+Rb: https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:33322
+Re: https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:49882
+Rh: https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:33359
+Ru: https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:30682
+Sc: https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:33330
+Se: https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:27568
+Si: https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:27573
+Sr: https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:33324
+Ta: https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:33348
+Tb: https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:33376
+Tc: https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:33353
+Te: https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:30452
+Th: https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:33385
+Ti: https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:33341
+Tl: https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:30440
+Tm: https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:33380
+Xe: https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:49957
+Yb: https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:33381
+Zn: https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:27363
+Zr: https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:33342
\ No newline at end of file
diff --git a/pyscal_rdf/data/msmo.owl b/pyscal_rdf/data/msmo.owl
deleted file mode 100644
index ec9843f..0000000
--- a/pyscal_rdf/data/msmo.owl
+++ /dev/null
@@ -1,56 +0,0 @@
-<?xml version="1.0"?>
-<rdf:RDF xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#"
-         xmlns:xsd="http://www.w3.org/2001/XMLSchema#"
-         xmlns:rdfs="http://www.w3.org/2000/01/rdf-schema#"
-         xmlns:owl="http://www.w3.org/2002/07/owl#"
-         xml:base="http://purls.helmholtz-metadaten.de/msmo/"
-         xmlns="http://purls.helmholtz-metadaten.de/msmo/">
-
-<owl:Ontology rdf:about="http://purls.helmholtz-metadaten.de/msmo"/>
-
-<owl:Class rdf:about="ComputationalMethod">
-  <rdfs:subClassOf rdf:resource="http://www.w3.org/2002/07/owl#Thing"/>
-</owl:Class>
-
-<owl:Class rdf:about="AtomisticMethod">
-  <rdfs:subClassOf rdf:resource="ComputationalMethod"/>
-</owl:Class>
-
-<owl:Class rdf:about="Calculation">
-  <rdfs:subClassOf rdf:resource="http://www.w3.org/2002/07/owl#Thing"/>
-</owl:Class>
-
-<owl:Class rdf:about="DensityFunctionalTheory">
-  <rdfs:subClassOf rdf:resource="AtomisticMethod"/>
-</owl:Class>
-
-<owl:Class rdf:about="MolecularDynamics">
-  <rdfs:subClassOf rdf:resource="AtomisticMethod"/>
-</owl:Class>
-
-<owl:Class rdf:about="AbinitioMolecularDynamics">
-  <rdfs:subClassOf rdf:resource="AtomisticMethod"/>
-</owl:Class>
-
-<owl:Class rdf:about="MonteCarloMethod">
-  <rdfs:subClassOf rdf:resource="ComputationalMethod"/>
-</owl:Class>
-
-<owl:Class rdf:about="KineticMonteCarloMethod">
-  <rdfs:subClassOf rdf:resource="MonteCarloMethod"/>
-</owl:Class>
-
-<owl:Class rdf:about="MolecularDynamicsMinimization">
-  <rdfs:subClassOf rdf:resource="MolecularDynamics"/>
-</owl:Class>
-
-<owl:Class rdf:about="MolecularDynamicsNPT">
-  <rdfs:subClassOf rdf:resource="MolecularDynamics"/>
-</owl:Class>
-
-<owl:Class rdf:about="MolecularDynamicsNVT">
-  <rdfs:subClassOf rdf:resource="MolecularDynamics"/>
-</owl:Class>
-
-
-</rdf:RDF>
diff --git a/pyscal_rdf/graph.py b/pyscal_rdf/graph.py
index 3b97e4f..bcab1e4 100644
--- a/pyscal_rdf/graph.py
+++ b/pyscal_rdf/graph.py
@@ -13,6 +13,12 @@
 from ase.io import write
 import copy
 import pandas as pd
+import yaml
+import uuid
+import json
+import shutil
+import tarfile
+import pyscal_rdf.json_io as json_io
 
 from pyscal_rdf.visualize import visualize_graph
 from pyscal_rdf.network.network import OntologyNetwork
@@ -26,6 +32,13 @@
 PLDO = Namespace("http://purls.helmholtz-metadaten.de/pldo/")
 PODO = Namespace("http://purls.helmholtz-metadaten.de/podo/")
 
+#read element data file
+file_location = os.path.dirname(__file__).split('/')
+file_location = "/".join(file_location[:-1])
+file_location = os.path.join(os.path.dirname(__file__),  'data/element.yml')
+with open(file_location, 'r') as fin:
+    element_indetifiers = yaml.safe_load(fin)
+
 
 defstyledict = {
     "BNode": {"color": "#ffe6ff", 
@@ -52,45 +65,42 @@ def _replace_keys(refdict, indict):
                 refdict[key] = val
     return refdict
 
+def _setup_structure_store(structure_store):
+    if structure_store is None:
+        structure_store = os.path.join(os.getcwd(), 'rdf_structure_store')
+    if not os.path.exists(structure_store):
+        os.mkdir(structure_store)
+    return structure_store
+
 class RDFGraph:
     def __init__(self, graph_file=None, 
         store="Memory", 
         store_file=None,
         identifier="http://default_graph",
-        ontology=None):
+        ontology=None,
+        structure_store=None):
         
         self.store_file = store_file
-        #owlfile = os.path.join(os.path.dirname(__file__), "data/cmso.owl")
-        #self.graph.parse(owlfile, format='xml')
+        self.structure_store = structure_store
+
+
         if store == "Memory":
             self.graph = Graph(store="Memory", identifier=identifier)
 
-        #elif store=="Oxigraph":
-        #    self.graph = Graph(store="Oxigraph", identifier=identifier)
-        #    if store_file is not None:
-        #        self.graph.open(store_file)
                 
         elif store=="SQLAlchemy":
             if store_file is None:
                 raise ValueError("store file is needed if store is not memory")
             self.graph = Graph(store="SQLAlchemy", identifier=identifier)
             uri = Literal(f"sqlite:///{store_file}")
-            self.graph.open(uri, create=True)
-
-        elif inspect.isclass(type(store)):
-            try:
-                prpath = store.path
-                dbfile = os.path.join(prpath, 'project.db')
-                #now start sqlalchemy instance
-                self.graph = Graph(store="SQLAlchemy", identifier=identifier)
-                uri = Literal(f"sqlite:///{dbfile}")
-                self.graph.open(uri, create=True)
-            except:
-                raise ValueError("store should be pyiron_project, SQLAlchemy, or Memory")
-        
+            self.graph.open(uri, create=True)        
         else:
             raise ValueError("store should be pyiron_project, SQLAlchemy, or Memory")
-            
+        
+        #start the storage
+        self.structure_store = _setup_structure_store(self.structure_store)
+
+        #start binding
         self.graph.bind("cmso", CMSO)
         self.graph.bind("pldo", PLDO)
         
@@ -106,6 +116,7 @@ def __init__(self, graph_file=None,
             ontology = read_ontology()
         self.ontology = ontology
         self._atom_ids = None
+        self.store = store
 
     
     def process_structure(self, structure, format=None):
@@ -124,106 +135,21 @@ def process_structure(self, structure, format=None):
         """
         if isinstance(structure, System):
             #self.sysdict = convert_to_dict(structure)
-            self.sys = structure
+            self.system = structure
         elif os.path.exists(structure):
             sys = System(structure, format=format)
             #self.sysdict = convert_to_dict(sys)
-            self.sys = sys
-    
-    def data(self, key):
-        #this method gets info directly from the dict
-        if key=="ChemicalCompositionElement":
-            return list(self.sys.composition.keys())
-        elif key=="ChemicalCompositionRatio":
-            return [val for key, val in self.sys.composition.items()]
-        elif key=="CellVolume":
-            return self.sys.volume
-        elif key=="NumberOfAtoms":
-            return self.sys.natoms
-        elif key=="SimulationCellLengthX":
-            return self.sys.box_dimensions[0]
-        elif key=="SimulationCellLengthY":
-            return self.sys.box_dimensions[1]
-        elif key=="SimulationCellLengthZ":
-            return self.sys.box_dimensions[2]
-
-        elif key=="SimulationCellVectorA":
-            return self.sys.box[0]
-        elif key=="SimulationCellVectorB":
-            return self.sys.box[1]
-        elif key=="SimulationCellVectorC":
-            return self.sys.box[2]
-        
-        elif key=="SimulationCellAngleAlpha":
-            return prp.get_angle(self.sys.box[0], self.sys.box[1])
-        elif key=="SimulationCellAngleBeta":
-            return prp.get_angle(self.sys.box[1], self.sys.box[2])
-        elif key=="SimulationCellAngleGamma": 
-            return prp.get_angle(self.sys.box[2], self.sys.box[0])
-        
-        elif key=="Element":
-            if self.sys.atoms.species[0] is not None:
-                return self.sys.atoms.species
-            else:
-                return self.sys.atoms.types
-        elif key=="Coordination":
-            return prp.get_coordination(self.sys)
-        elif key=="Positions":
-            return self.sys.atoms.positions
-        elif key=="LatticeParameter":
-            return self.sys.atoms._lattice_constant      
-        
-        elif key=="SpaceGroupSymbol":
-            if self.sys._structure_dict is not None:
-                symbol, number = prp.get_space_group(self.sys)
-                return symbol
-        elif key=="SpaceGroupNumber":
-            if self.sys._structure_dict is not None:
-                symbol, number = prp.get_space_group(self.sys)
-                return number
-            else:
-                return None
-
-        elif key=="CrystalStructureName":
-            if self.sys._structure_dict is not None:
-                return self.sys.atoms._lattice 
-            else:
-                return None
-
-        elif key=="BravaisLattice":
-            if self.sys._structure_dict is not None:
-                return prp.get_bravais_lattice(self.sys)
-            else:
-                return None
-
-        elif key=="BasisPositions":
-            if self.sys._structure_dict is not None:
-                return self.sys._structure_dict['positions']
-            else:
-                return None
-
-        elif key=="BasisOccupancy":
-            if self.sys._structure_dict is not None:
-                return prp.get_basis(self.sys)
-            else:
-                return None
-
-        elif key=="LatticeVectors":
-            if self.sys._structure_dict is not None:
-                return prp.get_lattice_vector(self.sys)
-            else:
-                return None
-
-        #if self.sysdict is not None:
-        #    if key in self.sysdict:
-        #        return self.sysdict[key]
-        return None
-    
+            self.system = sys
+        
     def add(self, triple):
         if str(triple[2].toPython()) != 'None':
             self.graph.add(triple)
         
-    def add_structure_to_graph(self, structure, names=True, name_index=None, format=None):
+    def add_structure_to_graph(self, 
+            structure, 
+            names=True, 
+            name_index=None, 
+            format=None):
         """
         Add a given :py:class:`pyscal.core.System` to the Graph object
 
@@ -238,17 +164,34 @@ def add_structure_to_graph(self, structure, names=True, name_index=None, format=
         Returns
         -------
         None
+
+        Notes
+        -----
+        BNodes, or relational nodes will be avoided as much as possible so that merging of datasets would be possible.
+        Instead URIref containers will be made use of. This makes the `names` and `name_index` parameters crucial.
+        `names` parameter means that legible names starting with the string `Sample_x` would be used. `x` would ensure
+        that there is conflict with the current database. However, they do not ensure there is no conflicts when various
+        graphs are merged together. Hence this value is recommended only for simple, demonstration cases.
+
+        If `names` are False, unique ids are generated which would be id of the sample. These ids use the python `uuid` module
+        and therefore ensures that the names are always unique.
         """
+        
         self.process_structure(structure, format=format)
-        #now add to graph
-        if name_index is None:
-            name_index = self.n_samples + 1
-        self.create_graph(names=names, name_index=name_index)
+        
+        if names:
+            if name_index is None:
+                name_index = self.n_samples + 1
+            self._name = f'sample:{name_index}'
+        else:
+            self._name = f'sample:{str(uuid.uuid4())}'
+
+        self.create_graph()
         structure.sample = self.sample
-        structure._atom_ids = copy.copy(self._atom_ids)
+        #structure._atom_ids = copy.copy(self._atom_ids)
         structure.graph = self
     
-    def create_graph(self, names=False, name_index="1"):
+    def create_graph(self):
         """
         Create the RDF Graph from the data stored
 
@@ -263,46 +206,34 @@ def create_graph(self, names=False, name_index="1"):
         Returns
         -------
         None
-        """
-
-        if names:
-            name_list = [f'Sample_{name_index}', f'Material_{name_index}',
-                        f'ChemicalComposition_{name_index}', f'SimulationCell_{name_index}',
-                        f'SimulationCell_{name_index}', f'CrystalStructure_{name_index}',
-                        f'SpaceGroup_{name_index}', f'UnitCell_{name_index}',
-                        f'UnitCell_{name_index}', f'Atom_{name_index}']
-        else:
-            name_list = [None, None,
-                        None, None,
-                        None, None,
-                        None, None,
-                        None, None]
-        self.add_sample(name=name_list[0])
-        self.add_material(name=name_list[1])
-        self.add_chemical_composition(name=name_list[2])
-        self.add_simulation_cell(name=name_list[3])
-        self.add_simulation_cell_properties(name=name_list[4])
-        self.add_crystal_structure(name=name_list[5])
-        self.add_space_group(name=name_list[6])
-        self.add_unit_cell(name=name_list[7])
-        self.add_lattice_properties(name=name_list[8])
-        self.add_atoms(name=name_list[9])
-
+        """        
+        self.add_sample()
+        self.add_material()
+        self.add_chemical_composition()
+        self.add_simulation_cell()
+        self.add_simulation_cell_properties()
+        self.add_crystal_structure()
+        self.add_space_group()
+        self.add_unit_cell()
+        self.add_lattice_properties()
+        self.add_atoms()
+
+        #extra triples
         self.add((CMSO.SimulationCellLength, RDFS.subClassOf, CMSO.Length))
         self.add((CMSO.LatticeParameter, RDFS.subClassOf, CMSO.Length))
-        self.add((CMSO.Length, CMSO.hasUnit, URIRef("https://qudt.org/2.1/vocab/unit#ANGSTROM")))
+        self.add((CMSO.Length, CMSO.hasUnit, URIRef("http://qudt.org/vocab/unit/ANGSTROM")))
         
         self.add((CMSO.SimulationCellAngle, RDFS.subClassOf, CMSO.Angle))
         self.add((CMSO.LatticeAngle, RDFS.subClassOf, CMSO.Angle))
-        self.add((CMSO.Angle, CMSO.hasUnit, URIRef("https://qudt.org/2.1/vocab/unit#DEG")))
+        self.add((CMSO.Angle, CMSO.hasUnit, URIRef("http://qudt.org/vocab/unit/DEG")))
         
         self.add((CMSO.LatticeVector, RDFS.subClassOf, CMSO.Vector))
         self.add((CMSO.SimulationCellVector, RDFS.subClassOf, CMSO.Vector))
         self.add((CMSO.PositionVector, RDFS.subClassOf, CMSO.Vector))
-        self.add((CMSO.Vector, CMSO.hasUnit, URIRef("https://qudt.org/2.1/vocab/unit#ANGSTROM")))
+        self.add((CMSO.Vector, CMSO.hasUnit, URIRef("http://qudt.org/vocab/unit/ANGSTROM")))
         
         
-    def add_sample(self, name=None):
+    def add_sample(self):
         """
         Add a CMSO Sample object
 
@@ -315,11 +246,11 @@ def add_sample(self, name=None):
         -------
         """
 
-        sample_01 = BNode(name)
-        self.add((sample_01, RDF.type, CMSO.AtomicScaleSample))
-        self.sample = sample_01
+        sample = URIRef(f'{self._name}')
+        self.add((sample, RDF.type, CMSO.AtomicScaleSample))
+        self.sample = sample
     
-    def add_material(self, name=None):
+    def add_material(self):
         """
         Add a CMSO Material object
 
@@ -332,12 +263,12 @@ def add_material(self, name=None):
         -------
         """
 
-        material_01 = BNode(name)
-        self.add((self.sample, CMSO.hasMaterial, material_01))
-        self.add((material_01, RDF.type, CMSO.CrystallineMaterial))        
-        self.material = material_01
+        material = URIRef(f'{self._name}_Material')
+        self.add((self.sample, CMSO.hasMaterial, material))
+        self.add((material, RDF.type, CMSO.CrystallineMaterial))        
+        self.material = material
     
-    def add_chemical_composition(self, name=None):
+    def add_chemical_composition(self):
         """
         Add chemical composition
 
@@ -349,12 +280,21 @@ def add_chemical_composition(self, name=None):
         Returns
         -------
         """
-
-        chem_comp = ["=".join([str(x), str(y)]) for x,y in zip(self.data("ChemicalCompositionElement"), self.data("ChemicalCompositionRatio"))]
-        for x in range(len(chem_comp)):
-            self.add((self.material, CMSO.hasElementRatio, Literal(chem_comp[x], datatype=XSD.string)))
+        composition = self.system.schema.material.element_ratio()
+
+        chemical_species = URIRef(f'{self._name}_ChemicalSpecies')
+        self.add((self.sample, CMSO.hasSpecies, chemical_species))
+        self.add((chemical_species, RDF.type, CMSO.ChemicalSpecies))
+
+        for e, r in composition.items():
+            if e in element_indetifiers.keys():
+                element = URIRef(element_indetifiers[e])
+                self.add((chemical_species, CMSO.hasElement, element))
+                self.add((element, RDF.type, CMSO.Element))
+                self.add((element, CMSO.hasSymbol, Literal(e, datatype=XSD.string)))
+                self.add((element, CMSO.hasElementRatio, Literal(r, datatype=XSD.float)))
     
-    def add_simulation_cell(self, name=None):
+    def add_simulation_cell(self):
         """
         Add a CMSO SimulationCell
 
@@ -367,15 +307,19 @@ def add_simulation_cell(self, name=None):
         -------
         """
 
-        simulation_cell_01 = BNode(name)
-        self.add((self.sample, CMSO.hasSimulationCell, simulation_cell_01))
-        self.add((simulation_cell_01, RDF.type, CMSO.SimulationCell))
-        self.add((simulation_cell_01, CMSO.hasVolume, Literal(np.round(self.data("CellVolume"), decimals=2), datatype=XSD.float)))
-        self.add((self.sample, CMSO.hasNumberOfAtoms, Literal(self.data("NumberOfAtoms"), datatype=XSD.integer)))
-        self.simulation_cell = simulation_cell_01
+        simulation_cell = URIRef(f'{self._name}_SimulationCell')
+        self.add((self.sample, CMSO.hasSimulationCell, simulation_cell))
+        self.add((simulation_cell, RDF.type, CMSO.SimulationCell))
+        self.add((simulation_cell, CMSO.hasVolume, 
+            Literal(np.round(self.system.schema.simulation_cell.volume(), decimals=2), 
+                datatype=XSD.float)))
+        self.add((self.sample, CMSO.hasNumberOfAtoms, 
+            Literal(self.system.schema.simulation_cell.number_of_atoms(), 
+                datatype=XSD.integer)))
+        self.simulation_cell = simulation_cell
         
     
-    def add_simulation_cell_properties(self, name=None):
+    def add_simulation_cell_properties(self):
         """
         Add a CMSO SimulationCell properties such as SimulationCellLength,
         and Vectors.
@@ -388,59 +332,46 @@ def add_simulation_cell_properties(self, name=None):
         Returns
         -------
         """
-
-        uname = None
-        if name is not None:
-            uname = f'{name}Length'
-        simulation_cell_length_01 = BNode(uname)
-        self.add((self.simulation_cell, CMSO.hasLength, simulation_cell_length_01))
-        self.add((simulation_cell_length_01, RDF.type, CMSO.SimulationCellLength))
-        self.add((simulation_cell_length_01, CMSO.hasLength_x, Literal(self.data("SimulationCellLengthX"), datatype=XSD.float)))
-        self.add((simulation_cell_length_01, CMSO.hasLength_y, Literal(self.data("SimulationCellLengthY"), datatype=XSD.float)))
-        self.add((simulation_cell_length_01, CMSO.hasLength_z, Literal(self.data("SimulationCellLengthZ"), datatype=XSD.float)))
-        
-        uname = None
-        if name is not None:
-            uname = f'{name}Vector01'
-        simulation_cell_vector_01 = BNode(uname)
+        simulation_cell_length = URIRef(f'{self._name}_SimulationCellLength')
+        self.add((self.simulation_cell, CMSO.hasLength, simulation_cell_length))
+        data = self.system.schema.simulation_cell.length()
+        self.add((simulation_cell_length, RDF.type, CMSO.SimulationCellLength))
+        self.add((simulation_cell_length, CMSO.hasLength_x, Literal(data[0], datatype=XSD.float)))
+        self.add((simulation_cell_length, CMSO.hasLength_y, Literal(data[1], datatype=XSD.float)))
+        self.add((simulation_cell_length, CMSO.hasLength_z, Literal(data[2], datatype=XSD.float)))
+        
+        simulation_cell_vector_01 = URIRef(f'{self._name}_SimulationCellVector_1')
+        data = self.system.schema.simulation_cell.vector()
         self.add((self.simulation_cell, CMSO.hasVector, simulation_cell_vector_01))
         self.add((simulation_cell_vector_01, RDF.type, CMSO.SimulationCellVector))
-        self.add((simulation_cell_vector_01, CMSO.hasComponent_x, Literal(self.data("SimulationCellVectorA")[0], datatype=XSD.float)))
-        self.add((simulation_cell_vector_01, CMSO.hasComponent_y, Literal(self.data("SimulationCellVectorA")[1], datatype=XSD.float)))
-        self.add((simulation_cell_vector_01, CMSO.hasComponent_z, Literal(self.data("SimulationCellVectorA")[2], datatype=XSD.float)))
-        
-        uname = None
-        if name is not None:
-            uname = f'{name}Vector02'
-        simulation_cell_vector_02 = BNode(uname)
+        self.add((simulation_cell_vector_01, CMSO.hasComponent_x, Literal(data[0][0], datatype=XSD.float)))
+        self.add((simulation_cell_vector_01, CMSO.hasComponent_y, Literal(data[0][1], datatype=XSD.float)))
+        self.add((simulation_cell_vector_01, CMSO.hasComponent_z, Literal(data[0][2], datatype=XSD.float)))
+        
+        simulation_cell_vector_02 = URIRef(f'{self._name}_SimulationCellVector_2')
         self.add((self.simulation_cell, CMSO.hasVector, simulation_cell_vector_02))
         self.add((simulation_cell_vector_02, RDF.type, CMSO.SimulationCellVector))
-        self.add((simulation_cell_vector_02, CMSO.hasComponent_x, Literal(self.data("SimulationCellVectorB")[0], datatype=XSD.float)))
-        self.add((simulation_cell_vector_02, CMSO.hasComponent_y, Literal(self.data("SimulationCellVectorB")[1], datatype=XSD.float)))
-        self.add((simulation_cell_vector_02, CMSO.hasComponent_z, Literal(self.data("SimulationCellVectorB")[2], datatype=XSD.float)))
-        
-        uname = None
-        if name is not None:
-            uname = f'{name}Vector03'
-        simulation_cell_vector_03 = BNode(uname)
+        self.add((simulation_cell_vector_02, CMSO.hasComponent_x, Literal(data[1][0], datatype=XSD.float)))
+        self.add((simulation_cell_vector_02, CMSO.hasComponent_y, Literal(data[1][1], datatype=XSD.float)))
+        self.add((simulation_cell_vector_02, CMSO.hasComponent_z, Literal(data[1][2], datatype=XSD.float)))
+        
+        simulation_cell_vector_03 = URIRef(f'{self._name}_SimulationCellVector_3')
         self.add((self.simulation_cell, CMSO.hasVector, simulation_cell_vector_03))
         self.add((simulation_cell_vector_03, RDF.type, CMSO.SimulationCellVector))
-        self.add((simulation_cell_vector_03, CMSO.hasComponent_x, Literal(self.data("SimulationCellVectorC")[0], datatype=XSD.float)))
-        self.add((simulation_cell_vector_03, CMSO.hasComponent_y, Literal(self.data("SimulationCellVectorC")[1], datatype=XSD.float)))
-        self.add((simulation_cell_vector_03, CMSO.hasComponent_z, Literal(self.data("SimulationCellVectorC")[2], datatype=XSD.float)))
-        
-        uname = None
-        if name is not None:
-            uname = f'{name}Angle'
-        simulation_cell_angle_01 = BNode(uname)
-        self.add((self.simulation_cell, CMSO.hasAngle, simulation_cell_angle_01))
-        self.add((simulation_cell_angle_01, RDF.type, CMSO.SimulationCellAngle))
-        self.add((simulation_cell_angle_01, CMSO.hasAngle_alpha, Literal(self.data("SimulationCellAngleAlpha"), datatype=XSD.float)))
-        self.add((simulation_cell_angle_01, CMSO.hasAngle_beta, Literal(self.data("SimulationCellAngleBeta"), datatype=XSD.float)))
-        self.add((simulation_cell_angle_01, CMSO.hasAngle_gamma, Literal(self.data("SimulationCellAngleGamma"), datatype=XSD.float)))
+        self.add((simulation_cell_vector_03, CMSO.hasComponent_x, Literal(data[2][0], datatype=XSD.float)))
+        self.add((simulation_cell_vector_03, CMSO.hasComponent_y, Literal(data[2][1], datatype=XSD.float)))
+        self.add((simulation_cell_vector_03, CMSO.hasComponent_z, Literal(data[2][2], datatype=XSD.float)))
+        
+        simulation_cell_angle = URIRef(f'{self._name}_SimulationCellAngle')
+        data = self.system.schema.simulation_cell.angle()
+        self.add((self.simulation_cell, CMSO.hasAngle, simulation_cell_angle))
+        self.add((simulation_cell_angle, RDF.type, CMSO.SimulationCellAngle))
+        self.add((simulation_cell_angle, CMSO.hasAngle_alpha, Literal(data[0], datatype=XSD.float)))
+        self.add((simulation_cell_angle, CMSO.hasAngle_beta, Literal(data[1], datatype=XSD.float)))
+        self.add((simulation_cell_angle, CMSO.hasAngle_gamma, Literal(data[2], datatype=XSD.float)))
         
     
-    def add_crystal_structure(self, name=None):
+    def add_crystal_structure(self):
         """
         Add a CMSO Crystal Structure
 
@@ -453,13 +384,15 @@ def add_crystal_structure(self, name=None):
         -------
         """
 
-        crystal_structure_01 = BNode(name)
-        self.add((self.material, CMSO.hasStructure, crystal_structure_01))
-        self.add((crystal_structure_01, RDF.type, CMSO.CrystalStructure))    
-        self.add((crystal_structure_01, CMSO.hasAltName, Literal(self.data("CrystalStructureName"), datatype=XSD.string)))
-        self.crystal_structure = crystal_structure_01
+        crystal_structure = URIRef(f'{self._name}_CrystalStructure')
+        self.add((self.material, CMSO.hasStructure, crystal_structure))
+        self.add((crystal_structure, RDF.type, CMSO.CrystalStructure))    
+        self.add((crystal_structure, CMSO.hasAltName, 
+            Literal(self.system.schema.material.crystal_structure.name(), 
+                datatype=XSD.string)))
+        self.crystal_structure = crystal_structure
         
-    def add_space_group(self, name=None):
+    def add_space_group(self):
         """
         Add a CMSO Space Group
 
@@ -471,11 +404,15 @@ def add_space_group(self, name=None):
         Returns
         -------
         """
-        self.add((self.crystal_structure, CMSO.hasSpaceGroupSymbol, Literal(self.data("SpaceGroupSymbol"), datatype=XSD.string)))
-        self.add((self.crystal_structure, CMSO.hasSpaceGroupNumber, Literal(self.data("SpaceGroupNumber"), datatype=XSD.integer)))
+        self.add((self.crystal_structure, CMSO.hasSpaceGroupSymbol, 
+            Literal(self.system.schema.material.crystal_structure.spacegroup_symbol(), 
+                datatype=XSD.string)))
+        self.add((self.crystal_structure, CMSO.hasSpaceGroupNumber, 
+            Literal(self.system.schema.material.crystal_structure.spacegroup_number(), 
+                datatype=XSD.integer)))
     
             
-    def add_unit_cell(self, name=None):
+    def add_unit_cell(self):
         """
         Add a CMSO Unit Cell
 
@@ -488,18 +425,18 @@ def add_unit_cell(self, name=None):
         -------
         """
 
-        unit_cell_01 = BNode(name)
-        self.add((self.crystal_structure, CMSO.hasUnitCell, unit_cell_01))
-        self.add((unit_cell_01, RDF.type, CMSO.UnitCell))
-        self.unit_cell = unit_cell_01
+        unit_cell = URIRef(f'{self._name}_UnitCell')
+        self.add((self.crystal_structure, CMSO.hasUnitCell, unit_cell))
+        self.add((unit_cell, RDF.type, CMSO.UnitCell))
+        self.unit_cell = unit_cell
         
         #add bravais lattice
-        bv = None
-        if self.data("BravaisLattice") is not None:
-            bv = URIRef(self.data("BravaisLattice"))
+        bv = self.system.schema.material.crystal_structure.unit_cell.bravais_lattice()
+        if bv is not None:
+            bv = URIRef(bv)
             self.add((self.unit_cell, CMSO.hasBravaisLattice, bv))
         
-    def add_lattice_properties(self, name=None):
+    def add_lattice_properties(self):
         """
         Add CMSO lattice properties such as Lattice Parameter,
         and its lengths and angles. 
@@ -512,28 +449,44 @@ def add_lattice_properties(self, name=None):
         Returns
         -------
         """
-
-        uname = None
-        if name is not None:
-            uname = f'{name}LatticeParameter'
-        lattice_parameter_01 = BNode(uname)
-        self.add((self.unit_cell, CMSO.hasLatticeParamter, lattice_parameter_01))
-        self.add((lattice_parameter_01, RDF.type, CMSO.LatticeParameter))
-        self.add((lattice_parameter_01, CMSO.hasLength_x, Literal(self.data("LatticeParameter"), datatype=XSD.float)))
-        self.add((lattice_parameter_01, CMSO.hasLength_y, Literal(self.data("LatticeParameter"), datatype=XSD.float)))
-        self.add((lattice_parameter_01, CMSO.hasLength_z, Literal(self.data("LatticeParameter"), datatype=XSD.float)))
-        
-        uname = None
-        if name is not None:
-            uname = f'{name}LatticeAngle'
-        lattice_angle_01 = BNode(uname)
-        self.add((self.unit_cell, CMSO.hasAngle, lattice_angle_01))
-        self.add((lattice_angle_01, RDF.type, CMSO.LatticeAngle))
-        self.add((lattice_angle_01, CMSO.hasAngle_alpha, Literal(90, datatype=XSD.float)))
-        self.add((lattice_angle_01, CMSO.hasAngle_beta, Literal(90, datatype=XSD.float)))
-        self.add((lattice_angle_01, CMSO.hasAngle_gamma, Literal(90, datatype=XSD.float)))        
-        
-    def add_atoms(self, name=None):
+        data = self.system.schema.material.crystal_structure.unit_cell.lattice_parameter()
+        lattice_parameter = URIRef(f'{self._name}_LatticeParameter')
+        self.add((self.unit_cell, CMSO.hasLatticeParamter, lattice_parameter))
+        self.add((lattice_parameter, RDF.type, CMSO.LatticeParameter))
+        self.add((lattice_parameter, CMSO.hasLength_x, Literal(data[0], datatype=XSD.float)))
+        self.add((lattice_parameter, CMSO.hasLength_y, Literal(data[1], datatype=XSD.float)))
+        self.add((lattice_parameter, CMSO.hasLength_z, Literal(data[2], datatype=XSD.float)))
+        
+        lattice_angle = URIRef(f'{self._name}_LatticeAngle')
+        data = self.system.schema.material.crystal_structure.unit_cell.angle()
+        self.add((self.unit_cell, CMSO.hasAngle, lattice_angle))
+        self.add((lattice_angle, RDF.type, CMSO.LatticeAngle))
+        self.add((lattice_angle, CMSO.hasAngle_alpha, Literal(data[0], datatype=XSD.float)))
+        self.add((lattice_angle, CMSO.hasAngle_beta, Literal(data[1], datatype=XSD.float)))
+        self.add((lattice_angle, CMSO.hasAngle_gamma, Literal(data[2], datatype=XSD.float)))        
+
+
+    def _save_atom_attributes(self, position_identifier, species_identifier):
+        #if self.store == 'pyiron':
+        #    pass
+        #else:
+        #    #this is the file based store system
+        datadict = {
+            position_identifier:{
+                "value": self.system.schema.atom_attribute.position(),
+                "label": "position", 
+            },
+            species_identifier:{
+                "value": self.system.schema.atom_attribute.species(),
+                "label": "species", 
+            },
+        }
+        outfile = os.path.join(self.structure_store, str(self._name).split(':')[-1])
+        json_io.write_file(outfile,  datadict)
+        return os.path.relpath(outfile+'.json')
+
+
+    def add_atoms(self):
         """
         Add Atoms including their species and positions
 
@@ -544,50 +497,60 @@ def add_atoms(self, name=None):
 
         Returns
         -------
+
+        Notes
+        -----
+        Note that for the moment, we will dump the structures in a given folder,
+        maybe this could be input from the Job class directly
         """
-        self._atom_ids = []
-
-        positions = self.data("Positions")
-        elements = self.data("Element")
-        coordination = self.data("Coordination")
-        for x in range(len(positions)):
-            uname = None
-            if name is not None:
-                uname = f'{name}_{x}'            
-            #create atom
-            atom = BNode(uname)
-            self._atom_ids.append(atom)
-            self.add((self.sample, CMSO.hasAtom, atom))
-            self.add((atom, RDF.type, CMSO.Atom))
-
-            uname = None
-            if name is not None:
-                uname = f'{name}_{x}_Position'            
-            position = BNode(uname)
-            self.add((atom, CMSO.hasPositionVector, position))
-            self.add((position, RDF.type, CMSO.PositionVector))
-            self.add((position, CMSO.hasComponent_x, Literal(positions[x][0],
-                                                                  datatype=XSD.float)))
-            self.add((position, CMSO.hasComponent_y, Literal(positions[x][1],
-                                                                  datatype=XSD.float)))
-            self.add((position, CMSO.hasComponent_z, Literal(positions[x][2],
-                                                                  datatype=XSD.float)))
-            #now add coordination
-            uname = None
-            if name is not None:
-                uname = f'{name}_{x}_Element'            
-            element = BNode(uname)
-            self.add((atom, CMSO.hasElement, element))
-            self.add((element, RDF.type, CMSO.Element))
-            self.add((element, CMSO.hasSymbol, Literal(str(elements[x]),
-                                                            datatype=XSD.string)))
-            #finally occupancy
-            self.add((atom, CMSO.hasCoordinationNumber, Literal(coordination[x],
-                                                                     datatype=XSD.integer)))
+        #now we write out file
+        position_identifier = str(uuid.uuid4())
+        species_identifier = str(uuid.uuid4())
+
+        outfile = self._save_atom_attributes(position_identifier, species_identifier)
+
+        if "positions" in self.system.atoms.keys():
+            position = URIRef(f'{self._name}_Position')
+            self.add((self.sample, CMSO.hasAttribute, position))
+            self.add((position, RDF.type, CMSO.AtomAttribute))
+            self.add((position, CMSO.hasName, Literal('Position', datatype=XSD.string)))
+            self.add((position, CMSO.hasIdentifier, Literal(position_identifier, datatype=XSD.string)))            
+            self.add((position, CMSO.hasPath, Literal(outfile, datatype=XSD.string)))
+
+        if "species" in self.system.atoms.keys():
+            species = URIRef(f'{self._name}_Species')
+            self.add((self.sample, CMSO.hasAttribute, species))
+            self.add((species, RDF.type, CMSO.AtomAttribute))
+            self.add((species, CMSO.hasName, Literal('Species', datatype=XSD.string)))
+            self.add((species, CMSO.hasIdentifier, Literal(species_identifier, datatype=XSD.string)))            
+            self.add((species, CMSO.hasPath, Literal(outfile, datatype=XSD.string)))
+
+        #if "velocities" in self.sys.atoms.keys():
+        #    uname = None
+        #    if name is not None:
+        #        uname = f'{name}_Velocity'
+        #    velocity = BNode(uname)
+        #    self.add((self.sample, CMSO.hasAttribute, velocity))
+        #    self.add((velocity, RDF.type, CMSO.AtomAttribute))
+        #    self.add((velocity, CMSO.hasName, Literal('Velocity', data_type=XSD.string)))
+        #    velocity_identifier = uuid.uuid4()
+        #    self.add((velocity, CMSO.hasIdentifier, Literal(velocity_identifier, datatype=XSD.string)))            
+
+        #if "forces" in self.sys.atoms.keys():
+        #    uname = None
+        #    if name is not None:
+        #        uname = f'{name}_Force'  
+        #    force = BNode(uname)
+        #    self.add((self.sample, CMSO.hasAttribute, force))
+        #    self.add((force, RDF.type, CMSO.AtomAttribute))
+        #    self.add((force, CMSO.hasName, Literal('Force', data_type=XSD.string)))
+        #    force_identifier = uuid.uuid4()
+        #    self.add((force, CMSO.hasIdentifier, Literal(force_identifier, datatype=XSD.string)))            
+
 
     
     
-    def add_gb(self, gb_dict, name=None):
+    def add_gb(self, gb_dict):
         """
         Add GB details which will be annotated using PLDO
 
@@ -603,29 +566,36 @@ def add_gb(self, gb_dict, name=None):
         -------
         """
 
-        #mark that the structure has a defect
-
-        plane_defect_01 = BNode(name)
-        self.add((self.material, CMSO.hasDefect, plane_defect_01))
-        
+        #mark that the structure has a defect        
         if gb_dict["GBType"] is None:
-            self.add((plane_defect_01, RDF.type, PLDO.GrainBoundary))
+            plane_defect = URIRef(f'{self._name}_GrainBoundary')
+            self.add((plane_defect, RDF.type, PLDO.GrainBoundary))
+        
         elif gb_dict["GBType"] == "Twist":
-            self.add((plane_defect_01, RDF.type, PLDO.TwistGrainBoundary))
+            plane_defect = URIRef(f'{self._name}_TwistGrainBoundary')
+            self.add((plane_defect, RDF.type, PLDO.TwistGrainBoundary))
+        
         elif gb_dict["GBType"] == "Tilt":
-            self.add((plane_defect_01, RDF.type, PLDO.TiltGrainBoundary))
+            plane_defect = URIRef(f'{self._name}_TiltGrainBoundary')
+            self.add((plane_defect, RDF.type, PLDO.TiltGrainBoundary))
+        
         elif gb_dict["GBType"] == "Symmetric Tilt":
-            self.add((plane_defect_01, RDF.type, PLDO.SymmetricalTiltGrainBoundary))
+            plane_defect = URIRef(f'{self._name}_SymmetricalTiltGrainBoundary')
+            self.add((plane_defect, RDF.type, PLDO.SymmetricalTiltGrainBoundary))
+        
         elif gb_dict["GBType"] == "Mixed":
-            self.add((plane_defect_01, RDF.type, PLDO.MixedGrainBoundary))
-        self.add((plane_defect_01, PLDO.hasSigmaValue, Literal(gb_dict["sigma"], datatype=XSD.integer)))
+            plane_defect = URIRef(f'{self._name}_MixedGrainBoundary')
+            self.add((plane_defect, RDF.type, PLDO.MixedGrainBoundary))
+        
+        self.add((self.material, CMSO.hasDefect, plane_defect))
+        self.add((plane_defect, PLDO.hasSigmaValue, Literal(gb_dict["sigma"], datatype=XSD.integer)))
         
         #now mark that the defect is GB
         #uname = None
         #if name is not None:
         #    uname = f'{name}GrainBoundaryPlane'
         #gb_plane_01 = BNode(uname)
-        self.add((plane_defect_01, PLDO.hasGBPlane, Literal(gb_dict["GBPlane"], 
+        self.add((plane_defect, PLDO.hasGBPlane, Literal(gb_dict["GBPlane"], 
                                                              datatype=XSD.string)))
         #self.add((gb_plane_01, RDF.type, PLDO.GrainBoundaryPlane))
         #self.add((gb_plane_01, PLDO.hasMillerIndices, Literal(gb_dict["GBPlane"], 
@@ -635,7 +605,7 @@ def add_gb(self, gb_dict, name=None):
         #if name is not None:
         #    uname = f'{name}RotationAxis'
         #rotation_axis_01 = BNode(uname)
-        self.add((plane_defect_01, PLDO.hasRotationAxis, Literal(gb_dict["RotationAxis"], 
+        self.add((plane_defect, PLDO.hasRotationAxis, Literal(gb_dict["RotationAxis"], 
                                                              datatype=XSD.string)))
         #self.add((rotation_axis_01, RDF.type, PLDO.RotationAxis))
         #self.add((rotation_axis_01, PLDO.hasComponentX, Literal(gb_dict["RotationAxis"][0], datatype=XSD.float)))
@@ -646,11 +616,11 @@ def add_gb(self, gb_dict, name=None):
         #if name is not None:
         #    uname = f'{name}MisorientationAngle'
         #misorientation_angle_01 = BNode(uname)
-        self.add((plane_defect_01, PLDO.hasMisorientationAngle, Literal(gb_dict["MisorientationAngle"], datatype=XSD.float)))
+        self.add((plane_defect, PLDO.hasMisorientationAngle, Literal(gb_dict["MisorientationAngle"], datatype=XSD.float)))
         #self.add((misorientation_angle_01, RDF.type, PLDO.MisorientationAngle))
         #self.add((misorientation_angle_01, PLDO.hasAngle, Literal(gb_dict["MisorientationAngle"], datatype=XSD.float)))    
     
-    def add_vacancy(self, concentration, number=None, name=None):
+    def add_vacancy(self, concentration, number=None):
         """
         Add Vacancy details which will be annotated by PODO
 
@@ -666,9 +636,9 @@ def add_vacancy(self, concentration, number=None, name=None):
         -------
         """
 
-        vacancy_01 = BNode(name)
-        self.add((self.material, CMSO.hasDefect, vacancy_01))
-        self.add((vacancy_01, RDF.type, PODO.Vacancy))
+        vacancy = URIRef(f'{self._name}_Vacancy')
+        self.add((self.material, CMSO.hasDefect, vacancy))
+        self.add((vacancy, RDF.type, PODO.Vacancy))
         self.add((self.simulation_cell, PODO.hasVacancyConcentration, Literal(concentration, datatype=XSD.float)))
         if number is not None:
             self.add((self.simulation_cell, PODO.hasNumberOfVacancies, Literal(number, datatype=XSD.integer)))
@@ -677,7 +647,7 @@ def add_vacancy(self, concentration, number=None, name=None):
 
 
     def add_calculated_quantity(self, propertyname, value, unit=None, sample=None):
-        prop = BNode()
+        prop = URIRef(f'{self._name}_{propertyname}')
         if sample is None:
             sample = self.sample
         self.add((sample, CMSO.hasCalculatedProperty, prop))
@@ -685,7 +655,7 @@ def add_calculated_quantity(self, propertyname, value, unit=None, sample=None):
         self.add((prop, RDFS.label, Literal(propertyname)))
         self.add((prop, CMSO.hasValue, Literal(value)))
         if unit is not None:
-            self.add((prop, CMSO.hasUnit, URIRef(f'https://qudt.org/2.1/vocab/unit#{unit}')))
+            self.add((prop, CMSO.hasUnit, URIRef(f'http://qudt.org/vocab/unit/{unit}')))
 
 
     def inspect_sample(self, sample=None):
@@ -770,7 +740,9 @@ def visualise(self,
                   edge_color="#37474F",
                   styledict=None, 
                   graph_attr ={'rankdir': 'BT'},
-                  layoutname='cola'):
+                  layoutname='cola',
+                  hide_types=False,
+                  workflow_view=False):
         """
         Vosualise the RDF tree of the Graph
 
@@ -821,7 +793,9 @@ def visualise(self,
                                edge_color=edge_color,
                                styledict=sdict, 
                                graph_attr=graph_attr,
-                               layoutname=layoutname)
+                               layoutname=layoutname,
+                               hide_types=hide_types,
+                               workflow_view=workflow_view)
     
     
     def write(self, filename, format="json-ld"):
@@ -843,41 +817,62 @@ def write(self, filename, format="json-ld"):
 
         with open(filename, "w") as fout:
             fout.write(self.graph.serialize(format=format))
-            
-        
-    def to_file(self, sample, filename=None, format="lammps-dump"):
+    
+    def archive(self, package_name, format='turtle', compress=True):
         """
-        Save a given sample to a file
+        Publish a dataset from graph including per atom quantities
+        """
+        #first step make a folder
+        if os.path.exists(package_name):
+            raise ValueError(f'{package_name} already exists')
+        if compress:
+            if os.path.exists(f'{package_name}.tar.gz'):
+                raise ValueError(f'{package_name} tarball already exists')
+        
+        os.mkdir(package_name)
+        structure_store = f'{package_name}/rdf_structure_store' 
+        os.mkdir(structure_store)
+
+        #now go through each sample, and copy the file, at the same time fix the paths
+        for sample in self.samples:
+            filepath = self.graph.value(URIRef(f'{sample}_Position'), CMSO.hasPath).toPython()
+            shutil.copy(filepath, structure_store)
+            
+            #now we have to remove the old path, and fix new
+            for val in ['Position', 'Species']:
+                self.graph.remove((URIRef(f'{sample}_{val}'), CMSO.hasPath, None))
+            
+                #assign corrected path
+                new_relpath = "/".join(['rdf_structure_store', filepath.split('/')[-1]])
+                self.graph.add((URIRef(f'{sample}_{val}'), CMSO.hasPath, Literal(new_relpath, datatype=XSD.string)))
 
-        Parameters
-        ----------
-        sample
-            ID of the sample
+        triple_file = os.path.join(package_name, 'triples')
+        self.write(triple_file, format=format)
 
-        filename: string
-            name of output file
+        if compress:
+            with tarfile.open(f'{package_name}.tar.gz', "w:gz") as tar:
+                tar.add(package_name, arcname=os.path.basename(package_name))
+            shutil.rmtree(package_name)
 
-        format: string, {"lammps-dump","lammps-data", "poscar"}
 
-        Returns
-        -------
-        None
-        """
-
-        if filename is None:
-            filename = os.path.join(os.getcwd(), "out")
-        
-        sys = self.get_system_from_sample(sample)
-        
-        if format=="ase":
-            return sys.write.ase()
-        elif format=='poscar':
-            asesys = sys.write.ase()
-            write(filename, asesys, format="vasp")
-        else:
-            asesys = sys.write.ase()
-            write(filename, asesys, format=format)
-    
+    @classmethod
+    def unarchive(cls, package_name, compress=True, 
+        store="Memory", 
+        store_file=None,
+        identifier="http://default_graph",
+        ontology=None):
+        if compress:
+            package_base_name = ".".join(package_name.split(".")[:-2])
+            with tarfile.open(package_name) as fin: 
+                fin.extractall(".")
+            #os.remove(package_name)
+            #copy things out
+
+        return cls(store=store, store_file=store_file,
+            identifier=identifier, 
+            graph_file=f'{package_base_name}/triples', 
+            structure_store=f'{package_base_name}/rdf_structure_store',
+            ontology=ontology)
     
     def query(self, inquery):
         """
@@ -909,15 +904,15 @@ def auto_query(self, source, destination,
         if return_query:
             return query
         return self.query(query)
-
-
-    def query_sample(self, destination, condition=None, return_query=False, enforce_types=True):
-        return self.auto_query(self.ontology.terms.cmso.AtomicScaleSample, destination,
-            condition=condition, return_query=return_query, enforce_types=enforce_types)
     
+
     #################################
     # Methods to interact with sample
     #################################
+    def query_sample(self, destination, condition=None, return_query=False, enforce_types=True):
+        return self.auto_query(self.ontology.terms.cmso.AtomicScaleSample, destination,
+            condition=condition, return_query=return_query, enforce_types=enforce_types)
+
     @property
     def n_samples(self):
         """
@@ -989,27 +984,55 @@ def get_system_from_sample(self, sample):
             cell_vectors[0].append(self.graph.value(s[2], CMSO.hasComponent_x).toPython())
             cell_vectors[1].append(self.graph.value(s[2], CMSO.hasComponent_y).toPython())
             cell_vectors[2].append(self.graph.value(s[2], CMSO.hasComponent_z).toPython())
+        
         #cell_vectors
+        filepath = self.graph.value(URIRef(f'{sample}_Position'), CMSO.hasPath).toPython()
+        position_identifier = self.graph.value(URIRef(f'{sample}_Position'), CMSO.hasIdentifier).toPython()
+        species_identifier = self.graph.value(URIRef(f'{sample}_Species'), CMSO.hasIdentifier).toPython()
 
-        positions = []
-        species = []
+        #open the file for reading
+        with open(filepath, 'r') as fin:
+            data = json.load(fin)
+            positions = data[position_identifier]['value']
+            species = data[species_identifier]['value']
 
-        for atom in self.graph.triples((sample, CMSO.hasAtom, None)):
-            vector = self.graph.value(atom[2], CMSO.hasPositionVector)
-            pt = []
-            pt.append(self.graph.value(vector, CMSO.hasComponent_x).toPython())
-            pt.append(self.graph.value(vector, CMSO.hasComponent_y).toPython())
-            pt.append(self.graph.value(vector, CMSO.hasComponent_z).toPython())
-            element = self.graph.value(atom[2], CMSO.hasElement)
-            species.append(self.graph.value(element, CMSO.hasSymbol).toPython())
-            positions.append(pt)
-        
         atoms = {"positions": positions, "species": species}
         at = Atoms()
         at.from_dict(atoms)
         sys = System()
         sys.box = cell_vectors
-        sys.atoms = at
+        sys.atoms = at       
+        return sys
+
+    def to_file(self, sample, filename=None, format="lammps-dump"):
+        """
+        Save a given sample to a file
+
+        Parameters
+        ----------
+        sample
+            ID of the sample
 
+        filename: string
+            name of output file
+
+        format: string, {"lammps-dump","lammps-data", "poscar"}
+
+        Returns
+        -------
+        None
+        """
+
+        if filename is None:
+            filename = os.path.join(os.getcwd(), "out")
         
-        return sys
+        sys = self.get_system_from_sample(sample)
+        
+        if format=="ase":
+            return sys.write.ase()
+        elif format=='poscar':
+            asesys = sys.write.ase()
+            write(filename, asesys, format="vasp")
+        else:
+            asesys = sys.write.ase()
+            write(filename, asesys, format=format)
diff --git a/pyscal_rdf/network/ontology.py b/pyscal_rdf/network/ontology.py
index dc2c8f8..650e2bf 100644
--- a/pyscal_rdf/network/ontology.py
+++ b/pyscal_rdf/network/ontology.py
@@ -10,11 +10,10 @@ def read_ontology():
 	cmso = OntologyNetwork(os.path.join(file_location,  'data/cmso.owl'))
 	pldo = OntologyNetwork(os.path.join(file_location,  'data/pldo.owl'))
 	podo = OntologyNetwork(os.path.join(file_location,  'data/podo.owl'))
-	msmo = OntologyNetwork(os.path.join(file_location,  'data/msmo.owl'))
+	asmo = OntologyNetwork(os.path.join(file_location,  'data/asmo.owl'))
 	
-	#combine them
-	combo = cmso + pldo + podo + msmo	
-	#combo = cmso + pldo + podo
+	#combine them	
+	combo = cmso + pldo + podo + asmo
 
 	#add namespaces
 	combo.add_namespace('prov', 'http://www.w3.org/ns/prov#')
@@ -33,17 +32,16 @@ def read_ontology():
 	combo.add_term('http://www.w3.org/1999/02/22-rdf-syntax-ns#type', 'object_property', delimiter='#', namespace='rdf')
 	
 	#add paths
+	combo.add_path(('cmso:CrystalStructure', 'cmso:hasAltName', 'string'))
 	combo.add_path(('cmso:Material', 'cmso:hasDefect', 'pldo:PlanarDefect'))
 	combo.add_path(('cmso:Material', 'cmso:hasDefect', 'podo:Vacancy'))
 	combo.add_path(('cmso:SimulationCell', 'podo:hasVacancyConcentration', 'float'))
 	combo.add_path(('cmso:SimulationCell', 'podo:hasNumberOfVacancies', 'int'))
 	combo.add_path(('cmso:ComputationalSample', 'prov:wasDerivedFrom', 'cmso:ComputationalSample'))
-	combo.add_path(('cmso:ComputationalSample', 'prov:wasGeneratedBy', 'msmo:ComputationalMethod'))
-	combo.add_path(('msmo:ComputationalMethod', 'prov:wasAssociatedWith', 'prov:SoftwareAgent'))
 	combo.add_path(('cmso:ComputationalSample', 'rdf:type', 'prov:Entity'))
-	combo.add_path(('msmo:ComputationalMethod', 'rdf:type', 'prov:Activity'))
-	#for Alt Name, maybe this should not be here
-	combo.add_path(('cmso:CrystalStructure', 'cmso:hasAltName', 'string'))
+	combo.add_path(('asmo:StructureOptimization', 'rdf:type', 'prov:Activity'))	
+	combo.add_path(('asmo:StructureOptimization', 'prov:wasAssociatedWith', 'prov:SoftwareAgent'))
+	combo.add_path(('cmso:ComputationalSample', 'prov:wasGeneratedBy', 'asmo:StructureOptimization'))
 	
 	#return
 	return combo
\ No newline at end of file
diff --git a/pyscal_rdf/properties.py b/pyscal_rdf/properties.py
index 4ebd1ee..c17b3b1 100644
--- a/pyscal_rdf/properties.py
+++ b/pyscal_rdf/properties.py
@@ -1,7 +1,122 @@
 import numpy as np
 import spglib
 
-def get_angle(vec1, vec2):
+# DATADICT properties
+#------------------------------------------
+bravais_lattice_dict = {
+    "l12": "https://www.wikidata.org/wiki/Q3006714",
+    "b2": "https://www.wikidata.org/wiki/Q851536",
+    "diamond": "https://www.wikidata.org/wiki/Q3006714",
+    "hcp": "https://www.wikidata.org/wiki/Q663314",
+    "a15": "a15",
+    "bcc": "https://www.wikidata.org/wiki/Q851536",
+    "fcc": "https://www.wikidata.org/wiki/Q3006714",
+}
+
+# SIMCELL properties
+#--------------------------------------------
+def get_chemical_composition(system):
+    return system.composition
+
+def get_cell_volume(system):
+    return system.volume
+
+def get_number_of_atoms(system):
+    return system.natoms
+
+def get_simulation_cell_length(system):
+    return system.box_dimensions
+
+def get_simulation_cell_vector(system):
+    return system.box
+
+def get_simulation_cell_angle(system):
+    return [_get_angle(system.box[0], system.box[1]),
+            _get_angle(system.box[1], system.box[2]),
+            _get_angle(system.box[2], system.box[0])]
+
+# LATTICE properties
+#--------------------------------------------
+
+def get_lattice_angle(system):
+    if system._structure_dict is None:
+        return [None, None, None]
+
+    return [_get_angle(system._structure_dict["box"][0], system._structure_dict["box"][1]),
+            _get_angle(system._structure_dict["box"][1], system._structure_dict["box"][2]),
+            _get_angle(system._structure_dict["box"][2], system._structure_dict["box"][0])]
+
+def get_lattice_parameter(system):
+    if system.atoms._lattice_constant is None:
+        return [None, None, None]
+    else:
+        if system._structure_dict is not None:
+            return [np.linalg.norm(system._structure_dict["box"][0])*system.atoms._lattice_constant,
+                    np.linalg.norm(system._structure_dict["box"][1])*system.atoms._lattice_constant,
+                    np.linalg.norm(system._structure_dict["box"][2])*system.atoms._lattice_constant]
+        else:
+            return [system.atoms._lattice_constant, 
+                    system.atoms._lattice_constant, 
+                    system.atoms._lattice_constant]
+
+def get_crystal_structure_name(system):
+    if system._structure_dict is None:
+        return None
+    return system.atoms._lattice
+
+def get_bravais_lattice(system):
+    if system._structure_dict is None:
+        return None
+    if system.atoms._lattice in bravais_lattice_dict.keys():
+        return bravais_lattice_dict[system.atoms._lattice]
+    return None
+
+def get_basis_positions(system):
+    if system._structure_dict is None:
+        return None
+    return system._structure_dict["positions"]
+
+def get_basis_occupancy(system):
+    if system._structure_dict is None:
+        return None
+    occ_numbers = system._structure_dict['species']
+    tdict = system.atoms._type_dict
+    vals = [val for key, val in tdict.items()]
+    
+    if vals[0] is not None:
+        occ_numbers = [tdict[x] for x in occ_numbers]
+    return occ_numbers
+
+def get_lattice_vector(system):
+    if system._structure_dict is None:
+        return [None, None, None]
+    return system._structure_dict["box"]
+
+def get_spacegroup_symbol(system):
+    if system._structure_dict is None:
+        return None
+    results = _get_symmetry_dict(system)
+    return results[0]
+
+def get_spacegroup_number(system):
+    if system._structure_dict is None:
+        return None
+    results = _get_symmetry_dict(system)
+    return results[1]
+
+# ATOM attributes
+#--------------------------------------------
+def get_position(system):
+    return system.atoms.positions
+
+def get_species(system):
+    return system.atoms.species
+
+
+
+# SUPPORT functions
+#--------------------------------------------
+def _get_angle(vec1, vec2):
     """
     Get angle between two vectors in degrees
     
@@ -25,50 +140,11 @@ def get_angle(vec1, vec2):
     """
     return np.round(np.arccos(np.dot(vec1, vec2)/(np.linalg.norm(vec1)*np.linalg.norm(vec2)))*180/np.pi, decimals=2)
 
-def get_coordination(sys):
-    sys.find.neighbors(method="cutoff")
-    coordination = [len(x) for x in sys.atoms.neighbors.index]
-    return coordination
-
-def get_lattice_vector(sys, cartesian=False):
-    box = sys.box
-    return box
-
-def get_bravais_lattice(sys):
-    lattice = sys.atoms._lattice 
-    if lattice == "l12":
-        lattice = "https://www.wikidata.org/wiki/Q3006714"
-    elif lattice == "b2":
-        lattice = "https://www.wikidata.org/wiki/Q851536"
-    elif lattice == "diamond":
-        lattice = "https://www.wikidata.org/wiki/Q3006714"
-    elif lattice == "hcp":
-        lattice = "https://www.wikidata.org/wiki/Q663314"
-    elif lattice == "a15":
-        lattice = "a15"
-    elif lattice == "bcc":
-        lattice = "https://www.wikidata.org/wiki/Q851536"
-    elif lattice == "fcc":
-        lattice = "https://www.wikidata.org/wiki/Q3006714"
-    return lattice
-    
-def get_space_group(sys):
-    box = get_lattice_vector(sys)
-    direct_coordinates = sys._structure_dict['positions']
-    atom_types = sys._structure_dict['species']
+def _get_symmetry_dict(system):
+    box = get_lattice_vector(system)
+    direct_coordinates = get_basis_positions(system)
+    atom_types = system._structure_dict['species']
+
     results = spglib.get_symmetry_dataset((box,
     direct_coordinates, atom_types))
-    return results["international"], results["number"]
-    
-def get_basis(sys):
-    occ_numbers = sys._structure_dict['species']
-    tdict = sys.atoms._type_dict
-    vals = [val for key, val in tdict.items()]
-    
-    if vals[0] is not None:
-        occ_numbers = [tdict[x] for x in occ_numbers]
-    return occ_numbers
-
-    
-    
-
+    return results["international"], results["number"]    
diff --git a/pyscal_rdf/rdfsystem.py b/pyscal_rdf/rdfsystem.py
index 35262da..8f84c51 100644
--- a/pyscal_rdf/rdfsystem.py
+++ b/pyscal_rdf/rdfsystem.py
@@ -1,5 +1,10 @@
 import numpy as np
+from functools import partial, update_wrapper
+
 import pyscal3.core as pc
+from pyscal3.atoms import AttrSetter
+import pyscal_rdf.properties as prp
+
 from rdflib import Graph, Literal, Namespace, XSD, RDF, RDFS, BNode, URIRef, FOAF, SKOS, DCTERMS
 
 CMSO = Namespace("https://purls.helmholtz-metadaten.de/cmso/")
@@ -25,43 +30,72 @@ def __init__(self, filename = None,
         if source is not None:
             self.__dict__.update(source.__dict__)
 
+        #assign attributes
+        self.schema = AttrSetter()
+        mapdict = {
+        "material": {
+            "element_ratio": partial(prp.get_chemical_composition, self),
+            "crystal_structure": {
+                "name": partial(prp.get_crystal_structure_name, self),
+                "spacegroup_symbol": partial(prp.get_spacegroup_symbol, self),
+                "spacegroup_number": partial(prp.get_spacegroup_number, self),
+                "unit_cell": {
+                    "bravais_lattice": partial(prp.get_bravais_lattice, self),
+                    "lattice_parameter": partial(prp.get_lattice_parameter, self),
+                    "angle": partial(prp.get_lattice_angle, self),
+                    },            
+                },        
+            },
+        "simulation_cell": {
+            "volume": partial(prp.get_cell_volume, self),
+            "number_of_atoms": partial(prp.get_number_of_atoms, self),
+            "length": partial(prp.get_simulation_cell_length, self),
+            "vector": partial(prp.get_simulation_cell_vector, self),
+            "angle": partial(prp.get_simulation_cell_angle, self),
+            },
+        "atom_attribute": {
+            "position": partial(prp.get_position, self),
+            "species": partial(prp.get_species, self),
+            },
+        }
+
+        self.schema._add_attribute(mapdict)
+
+
     def __delitem__(self, val):
         if isinstance(val, int):
             val = [val]
+        
         #now the graph has to be updated accordingly
         if self.graph is not None:
             #first annotate graph
             c = (len(val)/self.natoms)
             self.graph.add_vacancy(c, number=len(val))
             #now we need to re-add atoms, so at to remove
-            #deleted ones from the vacancy
-            atoms = [self._atom_ids[v] for v in val] 
-            #this is the list of atoms in this sample
-            for atom in atoms:
-                #identify the position
-                position = list([s[2] for s in self.graph.graph.triples((atom, CMSO.hasPositionVector, None))])[0]
-                self.graph.graph.remove((position, None, None))
-                #identify element
-                element = list([s[2] for s in self.graph.graph.triples((atom, CMSO.hasElement, None))])[0]
-                self.graph.graph.remove((element, None, None))
-                #now remove the atom from the list completely
-                self.graph.graph.remove((atom, None, None))
-                self.graph.graph.remove((None, None, atom))
-            #now fully remove atoms
-            for atom in atoms:
-                self._atom_ids.remove(atom)
-            #now fix the number of atoms
             self.graph.graph.remove((self.sample, CMSO.hasNumberOfAtoms, None))
             self.graph.graph.add((self.sample, CMSO.hasNumberOfAtoms, Literal(self.natoms-len(val), datatype=XSD.integer)))
             #revamp composition
-            #for that first get element
-            material = list([s[2] for s in self.graph.graph.triples((self.sample, CMSO.hasMaterial, None))])[0]
             #remove existing chem composution
-            self.graph.graph.remove((material, CMSO.hasElementRatio, None))
+            chemical_species = self.graph.value(self.sample, CMSO.hasSpecies)
+            #start by cleanly removing elements
+            for s in self.graph.graph.triples((chemical_species, CMSO.hasElement, None)):
+                element = s[2]
+                self.graph.graph.remove((element, None, None))
+            self.graph.graph.remove((chemical_species, None, None))
+            self.graph.graph.remove((self.sample, CMSO.hasSpecies, None))
+            
             #now recalculate and add it again
-            chem_comp_element = list(self.composition.keys())
-            chem_comp_ratio = [val for key, val in self.composition.items()]
-            chem_comp = ["=".join([str(x), str(y)]) for x,y in zip(chem_comp_element, chem_comp_ratio)]
-            for x in range(len(chem_comp)):
-                self.graph.graph.add((material, CMSO.hasElementRatio, Literal(chem_comp[x], datatype=XSD.string)))
+            composition = self.schema.material.element_ratio()
+
+            chemical_species = URIRef(f'{self._name}_ChemicalSpecies')
+            self.graph.graph.add((self.sample, CMSO.hasSpecies, chemical_species))
+            self.graph.graph.add((chemical_species, RDF.type, CMSO.ChemicalSpecies))
+
+            for e, r in composition.items():
+                if e in element_indetifiers.keys():
+                    element = URIRef(element_indetifiers[e])
+                    self.add((chemical_species, CMSO.hasElement, element))
+                    self.add((element, RDF.type, CMSO.Element))
+                    self.add((element, CMSO.hasSymbol, Literal(e, datatype=XSD.string)))
+                    self.add((element, CMSO.hasElementRatio, Literal(r, datatype=XSD.float)))
         self.delete(indices=list(val))
\ No newline at end of file
diff --git a/pyscal_rdf/structure.py b/pyscal_rdf/structure.py
index 567a27d..e62e03e 100644
--- a/pyscal_rdf/structure.py
+++ b/pyscal_rdf/structure.py
@@ -98,9 +98,16 @@ class StructureGraph(RDFGraph):
     def __init__(self, graph_file=None, 
         store="Memory", 
         store_file=None,
-        identifier="http://default_graph"):
+        identifier="http://default_graph",
+        ontology=None,
+        structure_store=None):
         
-        super().__init__(graph_file=graph_file, store=store, store_file=store_file, identifier=identifier)
+        super().__init__(graph_file=graph_file, 
+            store=store, 
+            store_file=store_file, 
+            identifier=identifier,
+            ontology=ontology,
+            structure_store=structure_store)
         self._element_dict = element_dict
         self._structure_dict = structure_dict
 
diff --git a/pyscal_rdf/visualize.py b/pyscal_rdf/visualize.py
index beac451..01c3872 100644
--- a/pyscal_rdf/visualize.py
+++ b/pyscal_rdf/visualize.py
@@ -1,25 +1,55 @@
 import graphviz
 import os
-from rdflib import BNode, URIRef, Literal
+from rdflib import BNode, URIRef, Literal, Namespace
 import uuid
 import json
 import ipycytoscape
 
+
 def get_title_from_BNode(x):
     return x.toPython()
 
-def get_string_from_URI(x, ):
-    raw = x.toPython().split("#")
-    if len(raw)>1:
-        return raw[-1]
-    else:
-        return ".".join(x.toPython().split("/")[-2:])
+def get_string_from_URI(x):
+    """
+    Extract a presentable string from URI
+
+    Also differentiate between fixed notes and URIs, and assign color
+    """
+    raw = x.toPython()
+    #first try splitting by #
+    rawsplit = raw.split("#")
+    if len(rawsplit) > 1:
+        return rawsplit[-1], "URIRef"
+    
+    #try splitting by = for chebi values
+    if 'CHEBI' in raw:
+        rawsplit = raw.split("=")
+        rawsplit = rawsplit[-1].split(":")
+        if len(rawsplit) > 1:
+            return ".".join(rawsplit[-2:]), "URIRef"
+    
+    if 'sample:' in raw:
+        rawsplit = raw.split(":")
+        if len(rawsplit) > 1:
+            return "_".join(rawsplit), "BNode"
+
+    #just a normal url split now
+    rawsplit = raw.split("/")
+    if len(rawsplit) > 1:
+        return ".".join(rawsplit[-2:]), "URIRef"
+
+    rawsplit = raw.split(':')
+    if len(rawsplit) == 2:
+        return "_".join(rawsplit), "BNode"        
+
+    #none of the conditions, worked, which means its a hex string
+    return raw, "BNode"
 
 def parse_object(x):
     if isinstance(x, BNode):
         return get_title_from_BNode(x), "BNode"
     elif isinstance(x, URIRef):
-        return get_string_from_URI(x), "URIRef"
+        return get_string_from_URI(x)
     elif isinstance(x, Literal):
         return str(x.title()), "Literal"
 
@@ -46,22 +76,30 @@ def visualize_graph(g,
             edge_color="#37474F",
             styledict=styledict,
             graph_attr ={'rankdir': 'LR'},
-            layoutname='cola'):
+            layoutname='cola',
+            hide_types=False,
+            workflow_view=False):
     if backend=='ipycytoscape':
         return _visualize_graph_ipycytoscape_backend(g,
                                                 edge_color=edge_color,
                                                 styledict=styledict,
-                                                layoutname=layoutname)
+                                                layoutname=layoutname,
+                                                hide_types=hide_types,
+                                                workflow_view=workflow_view)
     else:
         return _visualize_graph_graphviz_backend(g,
                                                 edge_color=edge_color,
                                                 styledict=styledict,
-                                                graph_attr=graph_attr)
+                                                graph_attr=graph_attr,
+                                                hide_types=hide_types,
+                                                workflow_view=workflow_view)
     
 def _visualize_graph_ipycytoscape_backend(g,
                                           edge_color="#37474F",
                                           styledict=styledict,
-                                          layoutname='cola'):
+                                          layoutname='cola',
+                                          hide_types=False,
+                                          workflow_view=False):
     #first step is to create the json file
     # we can start with a dict
     gdict = {}
@@ -69,6 +107,38 @@ def _visualize_graph_ipycytoscape_backend(g,
     gdict["edges"] = []
     for k in g:
         string1, istype1 = parse_object(k[0])
+        string2, istype2 = parse_object(k[2])
+        string3, istype3 = parse_object(k[1])
+
+        plot = True
+        
+        if workflow_view:
+            #we collapse sample information
+            #if cmso.connector is found, only use it is it is cmso.hasCalculated
+            #all sub sample props, indicated by sample_x_jsjsj will be ignored.
+            ssplit = string3.split('.')
+            if (len(ssplit) == 2):
+                if (ssplit[0] == 'cmso') and (ssplit[1] != "hasCalculatedProperty"):
+                    plot = False
+            if string3 == 'subClassOf':
+                plot = False
+            ssplit = string2.split('.')
+            if string3 == 'type':
+                if (ssplit[0] == 'cmso') and (ssplit[1] not in  ["CalculatedProperty"]):
+                    plot = False
+                if (ssplit[0] == 'cmso') and (ssplit[1] in  ["AtomicScaleSample"]):
+                    dot.node(string1, label=string1, shape=styledict[istype1]["shape"], 
+                             style=styledict[istype1]["style"], 
+                             color=styledict[istype1]["color"],
+                             fontsize=styledict[istype1]["fontsize"])
+                    plot=False
+
+        if hide_types and (string3 == 'type'):
+            plot = False
+
+        if not plot:
+            continue
+
         id1 = _fix_id(string1, istype1)
         d = {"data": {"id": str(id1), 
                       "label": str(string1), 
@@ -78,7 +148,6 @@ def _visualize_graph_ipycytoscape_backend(g,
                       "fontsize": styledict[istype1]['fontsize']}}
         gdict["nodes"].append(d)
 
-        string2, istype2 = parse_object(k[2])
         id2 = _fix_id(string2, istype2)
         d = {"data": {"id": str(id2), 
                       "label": str(string2), 
@@ -87,8 +156,7 @@ def _visualize_graph_ipycytoscape_backend(g,
                       "width": len(string2)*7,
                       "fontsize": styledict[istype1]['fontsize']}}
         gdict["nodes"].append(d)
-        
-        string3, istype3 = parse_object(k[1])
+                
         id3 = str(uuid.uuid4())
         d = {"data": {"id": str(id3), 
                       "label": str(string3), 
@@ -152,13 +220,48 @@ def _visualize_graph_graphviz_backend(g,
             edge_color="#37474F",
             styledict=styledict,
             graph_attr ={'rankdir': 'LR'},
-            rankdir='LR'):
+            rankdir='LR',
+            hide_types=False,
+            workflow_view=False):
     
     dot = graphviz.Digraph()
     for key, val in graph_attr.items():
         dot.graph_attr[key] = val
+    
     for k in g:
         string1, istype1 = parse_object(k[0])
+        string2, istype2 = parse_object(k[2])
+        string3, istype = parse_object(k[1])
+
+        plot = True
+        
+        if workflow_view:
+            #we collapse sample information
+            #if cmso.connector is found, only use it is it is cmso.hasCalculated
+            #all sub sample props, indicated by sample_x_jsjsj will be ignored.
+            ssplit = string3.split('.')
+            if (len(ssplit) == 2):
+                if (ssplit[0] == 'cmso') and (ssplit[1] != "hasCalculatedProperty"):
+                    plot = False
+            if string3 == 'subClassOf':
+                plot = False
+            ssplit = string2.split('.')
+            if string3 == 'type':
+                if (ssplit[0] == 'cmso') and (ssplit[1] not in  ["CalculatedProperty"]):
+                    plot = False
+                if (ssplit[0] == 'cmso') and (ssplit[1] in  ["AtomicScaleSample"]):
+                    dot.node(string1, label=string1, shape=styledict[istype1]["shape"], 
+                             style=styledict[istype1]["style"], 
+                             color=styledict[istype1]["color"],
+                             fontsize=styledict[istype1]["fontsize"])
+                    plot=False
+
+        if hide_types and (string3 == 'type'):
+            plot = False
+
+        if not plot:
+            continue
+
         if istype1 == 'Literal':
             id1 = str(uuid.uuid4())
         else:
@@ -168,7 +271,6 @@ def _visualize_graph_graphviz_backend(g,
                  color=styledict[istype1]["color"],
                  fontsize=styledict[istype1]["fontsize"])
         
-        string2, istype2 = parse_object(k[2])
         if istype2 == 'Literal':
             id2 = str(uuid.uuid4())
         else:
@@ -178,7 +280,6 @@ def _visualize_graph_graphviz_backend(g,
                  color=styledict[istype2]["color"],
                  fontsize=styledict[istype2]["fontsize"])
         
-        string3, istype = parse_object(k[1])
         dot.edge(id1, id2, color=edge_color, label=string3, fontsize=styledict[istype2]["fontsize"])
     
     return dot
\ No newline at end of file
diff --git a/setup.py b/setup.py
index ea39d0e..6f2585a 100644
--- a/setup.py
+++ b/setup.py
@@ -6,7 +6,7 @@
 
 setup(
     name='pyscal_rdf',
-    version='0.0.18',
+    version='0.1.1',
     author='Abril Azocar Guzman, Sarath Menon',
     author_email='sarath.menon@pyscal.org',
     description='Ontology based structural manipulation and quering',