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{
"id": "jvasp-100473",
"created_at": "2022-09-04T14:36:39.065615Z",
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{
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{
"id": "jvasp-104106",
"created_at": "2022-09-04T14:36:44.695048Z",
"updated_at": "2022-09-04T14:36:44.695078Z",
"structure_string": "H6 C14 N2 O2\n1.0\n3.625778 0.041647 0.032401\n0.259193 5.425963 0.022036\n-0.020198 -0.005143 11.653192\nH C N O\n6 14 2 2\ndirect\n0.441697 0.384571 0.764101 H\n0.366337 0.477875 0.977367 H\n0.809244 0.183997 0.900983 H\n0.660697 0.356437 0.477485 H\n0.586104 0.449896 0.264246 H\n0.218079 0.650381 0.400965 H\n0.083951 0.822682 0.371407 C\n0.045486 0.877111 0.255300 C\n0.867512 0.101502 0.221090 C\n0.046624 0.881400 0.071686 C\n0.723278 0.280072 0.296145 C\n0.764922 0.225730 0.412475 C\n0.942355 0.000422 0.449813 C\n0.980916 0.953028 0.571715 C\n0.982166 0.957349 0.755309 C\n0.943423 0.011699 0.871405 C\n0.084936 0.833935 0.949769 C\n0.262365 0.608628 0.912382 C\n0.304366 0.554374 0.796043 C\n0.160187 0.732977 0.721044 C\n0.870585 0.091513 0.658149 N\n0.157113 0.742955 0.158077 N\n0.161880 0.728025 0.603004 O\n0.865767 0.106446 0.103042 O\n",
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{
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"structure_string": "Cd1 H4 C4 O4\n1.0\n3.473569 0.021861 0.823857\n1.527602 4.764562 1.136806\n0.071083 -0.114394 7.167955\nCd H C O\n1 4 4 4\ndirect\n0.666403 0.239554 0.728428 Cd\n0.133436 0.976990 0.250497 H\n0.604315 0.027150 0.170926 H\n0.415354 0.488125 0.205474 H\n0.851351 0.454251 0.286783 H\n0.497199 0.880897 0.469929 C\n0.452357 0.879723 0.264649 C\n0.639198 0.595189 0.192481 C\n0.886264 0.599011 0.987773 C\n0.335032 0.124274 0.532176 O\n0.705093 0.668224 0.564289 O\n-0.029147 0.814126 0.896627 O\n0.031395 0.357284 0.923313 O\n",
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{
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"created_at": "2022-09-04T14:36:45.192451Z",
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{
"id": "jvasp-58177",
"created_at": "2022-09-04T14:36:44.470748Z",
"updated_at": "2022-09-04T14:36:44.470776Z",
"structure_string": "Mg4 Mn2 Ir2 O12\n1.0\n0.000000 5.044890 0.023466\n5.253766 0.000000 0.000000\n0.000000 -4.977901 -7.442321\nMg Mn Ir O\n4 2 2 12\ndirect\n0.239986 0.939254 0.251053 Mg\n0.760014 0.439254 0.248947 Mg\n0.239986 0.560747 0.751053 Mg\n0.760014 0.060747 0.748947 Mg\n0.000000 0.500000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.500000 0.500000 0.500000 Ir\n0.500000 0.000000 -0.000000 Ir\n0.101087 0.806488 0.927706 O\n0.248431 0.322174 0.933863 O\n0.898913 0.306488 0.572293 O\n0.623028 0.069505 0.256256 O\n0.376972 0.930495 0.743744 O\n0.898913 0.193513 0.072293 O\n0.751568 0.677827 0.066136 O\n0.248431 0.177826 0.433863 O\n0.751568 0.822174 0.566136 O\n0.623028 0.430495 0.756256 O\n0.101087 0.693513 0.427706 O\n0.376972 0.569506 0.243744 O\n",
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{
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"structure_string": "Ba4 V8 Te4 O32\n1.0\n5.658669 0.000000 0.000000\n0.000000 9.118135 -2.956439\n0.000000 -0.035629 13.936962\nBa V Te O\n4 8 4 32\ndirect\n0.686411 0.404501 0.157050 Ba\n0.313590 0.595500 0.842950 Ba\n0.813590 0.904501 0.657050 Ba\n0.186410 0.095499 0.342950 Ba\n0.162883 0.078212 0.087647 V\n0.852941 0.351002 0.864978 V\n0.662884 0.421788 0.412353 V\n0.837117 0.921788 0.912353 V\n0.337117 0.578212 0.587647 V\n0.147059 0.648998 0.135022 V\n0.647059 0.851002 0.364978 V\n0.352941 0.148998 0.635022 V\n0.663418 0.811242 0.096511 Te\n0.163418 0.688759 0.403489 Te\n0.836582 0.311242 0.596511 Te\n0.336582 0.188759 0.903489 Te\n0.396975 0.663479 0.059086 O\n0.383293 0.298771 0.736327 O\n0.531873 0.412114 0.543095 O\n0.968128 0.912114 0.043095 O\n0.468128 0.587886 0.456904 O\n0.869654 0.501476 0.356675 O\n0.490016 0.691397 0.682331 O\n0.031873 0.087886 0.956904 O\n0.874691 0.630187 0.063533 O\n0.883293 0.201229 0.763672 O\n0.009984 0.191397 0.182331 O\n0.896975 0.836522 0.440914 O\n0.675955 0.998090 0.325471 O\n0.175955 0.501910 0.174529 O\n0.324045 0.001910 0.674529 O\n0.625309 0.130187 0.563533 O\n0.606930 0.808994 0.958365 O\n0.603025 0.336521 0.940914 O\n0.374691 0.869813 0.436467 O\n0.509984 0.308603 0.317669 O\n0.616707 0.701229 0.263672 O\n0.824046 0.498090 0.825471 O\n0.393070 0.191006 0.041635 O\n0.630346 0.001476 0.856675 O\n0.116707 0.798772 0.236328 O\n0.125309 0.369813 0.936467 O\n0.990016 0.808603 0.817669 O\n0.103025 0.163479 0.559086 O\n0.369654 -0.001476 0.143325 O\n0.893071 0.308994 0.458365 O\n0.106930 0.691006 0.541635 O\n0.130346 0.498524 0.643325 O\n",
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{
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"structure_string": "Li3 Ti1 Ni3 O8\n1.0\n-1.550777 5.622896 -0.049138\n-1.628040 2.496289 4.874544\n3.444507 4.137209 2.380058\nLi Ti Ni O\n3 1 3 8\ndirect\n0.500001 0.499999 0.500000 Li\n0.000000 0.500000 0.500000 Li\n-0.000000 -0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Ti\n0.500001 0.500000 -0.000000 Ni\n0.000000 0.500000 -0.000000 Ni\n0.500001 -0.000000 -0.000000 Ni\n0.772955 0.740475 0.229472 O\n0.250147 0.762473 0.224906 O\n0.772954 0.257098 0.229472 O\n0.249241 0.274896 0.200966 O\n0.750760 0.725103 0.799034 O\n0.227047 0.742901 0.770529 O\n0.749854 0.237526 0.775094 O\n0.227047 0.259524 0.770529 O\n",
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{
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"structure_string": "Fe1 H4 Cl2 O2\n1.0\n3.516069 0.045247 -0.326612\n-0.609412 5.500851 -0.784600\n0.053935 -0.036324 5.589463\nFe H Cl O\n1 4 2 2\ndirect\n-0.000000 -0.000002 0.000002 Fe\n0.836351 0.224077 0.602153 H\n0.163649 0.397846 0.775924 H\n0.836353 0.602155 0.224078 H\n0.163647 0.775922 0.397846 H\n0.556326 0.244142 0.244142 Cl\n0.443672 0.755858 0.755858 Cl\n1.000000 0.757616 0.242384 O\n-0.000001 0.242388 0.757612 O\n",
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{
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"structure_string": "Ce1 Nd1 Al2 O6\n1.0\n4.635035 0.013171 2.660728\n-1.502084 4.384914 2.660728\n0.009585 0.013456 5.342186\nCe Nd Al O\n1 1 2 6\ndirect\n0.751859 0.751857 0.498167 Ce\n0.246063 0.246063 0.503808 Nd\n0.999698 0.500061 0.000116 Al\n0.500063 0.999696 0.000116 Al\n0.220823 0.781450 0.997912 O\n0.781450 0.220824 0.997912 O\n0.221964 0.780236 0.499831 O\n0.780236 0.221964 0.499831 O\n0.692292 0.692290 0.056526 O\n0.305556 0.305557 0.945787 O\n",
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{
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"updated_at": "2022-09-04T14:36:45.139092Z",
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"structure_string": "K2 V2 Cu4 S8\n1.0\n5.152875 -0.000000 -1.558377\n0.000000 7.292929 0.000000\n-0.009101 0.000000 9.268256\nK V Cu S\n2 2 4 8\ndirect\n0.915316 0.750000 0.362390 K\n0.552926 0.250000 0.637610 K\n0.865374 0.750000 0.776189 V\n0.089185 0.250000 0.223811 V\n-0.000536 0.500000 0.000000 Cu\n-0.000536 0.000000 0.000000 Cu\n0.366514 0.750000 0.779380 Cu\n0.587134 0.250000 0.220620 Cu\n0.324252 0.497268 0.223844 S\n0.100409 0.502732 0.776157 S\n0.532445 0.750000 0.577648 S\n0.954796 0.250000 0.422351 S\n0.731685 0.750000 0.983878 S\n0.747808 0.250000 0.016122 S\n0.324252 0.002732 0.223844 S\n0.100409 0.997268 0.776157 S\n",
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}