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{
"id": "jvasp-85502",
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"structure_string": "La2 H6 O6\n1.0\n6.528257 -0.000247 0.000000\n-3.264343 5.653904 0.000000\n0.000000 0.000000 3.844111\nLa H O\n2 6 6\ndirect\n0.333338 0.666669 0.316226 La\n0.666662 0.333330 0.816226 La\n0.866916 0.727208 0.348869 H\n0.860313 0.133108 0.348864 H\n0.272760 0.139694 0.348839 H\n0.133084 0.272791 0.848869 H\n0.139688 0.866890 0.848864 H\n0.727240 0.860305 0.848839 H\n0.918786 0.612475 0.306925 O\n0.693694 0.081223 0.306930 O\n0.387509 0.306303 0.306920 O\n0.081215 0.387523 0.806925 O\n0.306307 0.918775 0.806930 O\n0.612491 0.693696 0.806920 O\n",
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{
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"created_at": "2022-09-04T14:36:16.074506Z",
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"structure_string": "Si4 H4 O10\n1.0\n-2.774550 8.452673 3.775737\n2.774550 -7.598499 1.165384\n2.774550 7.598499 -1.165384\nSi H O\n4 4 10\ndirect\n0.415944 -0.092756 0.687486 Si\n0.439113 0.947551 0.306198 Si\n0.939113 0.132915 -0.008439 Si\n-0.084058 0.728457 0.008701 Si\n0.627263 0.742345 0.465957 H\n0.382601 0.307404 0.567239 H\n0.882601 0.815362 0.575196 H\n0.127263 0.161307 0.384920 H\n0.525512 0.320384 0.462652 O\n0.453319 0.657129 0.542546 O\n0.608799 0.318310 0.934851 O\n0.634223 0.930992 0.057551 O\n0.469955 0.957044 0.487489 O\n0.108798 0.673948 0.790489 O\n0.969955 0.982466 0.012911 O\n0.025512 0.062858 0.705128 O\n0.134223 0.576672 0.203231 O\n-0.046680 -0.089226 0.296190 O\n",
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{
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"created_at": "2022-09-04T14:35:42.869843Z",
"updated_at": "2022-09-04T14:35:42.869872Z",
"structure_string": "Si4 H4 O10\n1.0\n-3.243161 7.093933 1.784433\n3.106665 -7.509089 2.949878\n3.080188 7.490250 -3.083996\nSi H O\n4 4 10\ndirect\n0.654219 0.139425 0.717155 Si\n0.356979 0.880144 0.325852 Si\n0.844179 0.055065 0.017918 Si\n0.156335 0.958400 0.000217 Si\n0.140140 0.613421 0.484873 H\n0.667995 0.841886 0.647433 H\n0.464554 0.457156 0.657679 H\n0.166779 0.043701 0.325788 H\n0.308973 0.096263 0.462756 O\n0.730813 -0.049933 0.589809 O\n0.926966 0.518167 0.764610 O\n0.698913 0.069332 0.251478 O\n0.352220 0.847430 0.510624 O\n0.510412 0.175686 0.949323 O\n0.067220 0.051965 -0.027313 O\n0.576587 0.721385 0.786954 O\n0.069695 0.444404 0.102478 O\n0.116615 0.054561 0.251637 O\n",
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{
"id": "jvasp-8551",
"created_at": "2022-09-04T14:37:01.416576Z",
"updated_at": "2022-09-04T14:37:01.416598Z",
"structure_string": "Th1 Ni1 Sn1\n1.0\n4.032115 0.000000 2.327942\n1.344039 3.801514 2.327942\n-0.000000 -0.000000 4.655885\nTh Ni Sn\n1 1 1\ndirect\n0.750001 0.749999 0.749998 Th\n0.000000 0.000000 0.000000 Ni\n0.250000 0.250000 0.249999 Sn\n",
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{
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"created_at": "2022-09-04T14:35:49.503368Z",
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"structure_string": "La2 H2 O4\n1.0\n4.127293 0.000000 -1.700482\n0.000000 3.936742 0.000000\n0.005140 0.000000 6.624942\nLa H O\n2 2 4\ndirect\n0.637817 0.250000 0.306584 La\n0.362182 0.750000 0.693416 La\n0.086383 0.750000 0.070453 H\n0.913616 0.250000 0.929547 H\n0.778631 0.750000 0.538938 O\n0.221368 0.250000 0.461061 O\n0.298883 0.750000 0.059983 O\n0.701116 0.250000 0.940017 O\n",
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{
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"created_at": "2022-09-04T14:36:48.046981Z",
"updated_at": "2022-09-04T14:36:48.047004Z",
"structure_string": "Tl2 In2 Te4\n1.0\n6.836285 0.006215 -1.876423\n-3.973380 5.563009 -1.876423\n-0.003195 -0.006215 7.089128\nTl In Te\n2 2 4\ndirect\n0.250000 0.250000 0.000000 Tl\n0.750000 0.750001 0.000001 Tl\n0.749999 0.250000 0.500000 In\n0.249999 0.750000 0.500000 In\n0.681503 0.181504 0.863007 Te\n0.181503 0.318496 0.500000 Te\n0.818496 0.681504 0.500001 Te\n0.318496 0.818497 0.136994 Te\n",
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"updated_at": "2022-09-04T14:35:54.963483Z",
"structure_string": "Eu1 Ge2 Rh2\n1.0\n3.900210 0.000000 -1.426331\n-0.521619 3.865172 -1.426331\n-0.024653 -0.028204 5.978188\nEu Ge Rh\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Eu\n0.377713 0.377713 0.755425 Ge\n0.622288 0.622288 0.244576 Ge\n0.250000 0.750000 0.500000 Rh\n0.750000 0.250000 0.500000 Rh\n",
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"structure_string": "Ge8 Te8\n1.0\n4.072399 0.000000 0.000000\n0.000000 13.388502 0.000000\n0.000000 0.000000 10.785060\nGe Te\n8 8\ndirect\n0.500141 0.743177 0.894222 Ge\n0.499860 0.256823 0.105778 Ge\n0.000141 0.743177 0.105778 Ge\n0.000141 0.756823 0.605778 Ge\n-0.000141 0.256823 0.894222 Ge\n0.499860 0.243177 0.605778 Ge\n0.500141 0.756823 0.394222 Ge\n-0.000141 0.243177 0.394222 Ge\n0.499881 0.375277 0.327429 Te\n0.000120 0.624722 0.327429 Te\n0.500120 0.875277 0.172571 Te\n-0.000120 0.124723 0.172571 Te\n0.500120 0.624722 0.672571 Te\n-0.000120 0.375277 0.672571 Te\n0.000120 0.875277 0.827429 Te\n0.499881 0.124723 0.827429 Te\n",
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"structure_string": "Eu4 Ge2 Se8\n1.0\n6.857868 0.005824 -2.141365\n-0.006084 6.968685 0.001139\n-0.162874 -0.001790 7.723105\nEu Ge Se\n4 2 8\ndirect\n0.315692 0.727043 0.950065 Eu\n0.265419 0.714679 0.432733 Eu\n0.684286 0.227105 0.049937 Eu\n0.734564 0.214693 0.567262 Eu\n0.194369 0.180756 0.237381 Ge\n0.805627 0.680753 0.762587 Ge\n0.445702 0.436637 0.744338 Se\n-0.030547 0.392363 0.373042 Se\n0.554266 0.936678 0.255644 Se\n0.015494 0.325085 0.914520 Se\n0.462178 0.444704 0.260016 Se\n0.030577 0.892383 0.626980 Se\n-0.015484 0.825067 0.085489 Se\n0.537865 -0.055342 0.740011 Se\n",
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"structure_string": "Li2 Eu1 Ge1 S4\n1.0\n4.954417 -0.431748 -2.519661\n-3.387117 5.299358 -1.399216\n0.121480 -0.189843 6.438596\nLi Eu Ge S\n2 1 1 4\ndirect\n0.499991 0.201699 0.701681 Li\n0.499994 0.701696 0.201688 Li\n0.000031 -0.059087 -0.059089 Eu\n0.000007 0.477062 0.477056 Ge\n-0.000016 0.654126 0.179911 S\n-0.000022 0.179917 0.654126 S\n0.464100 0.904335 0.904349 S\n0.535917 0.440255 0.440279 S\n",
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"structure_string": "Fe3 Pb4 Cl1 O8\n1.0\n3.925689 0.000022 -0.000217\n0.000029 3.925761 0.000080\n0.000784 -0.000849 15.108706\nFe Pb Cl O\n3 4 1 8\ndirect\n0.500062 0.500013 0.871737 Fe\n0.499969 0.499933 0.366124 Fe\n0.499983 0.500032 0.618931 Fe\n0.000283 0.999704 0.736160 Pb\n0.999942 0.999949 0.242723 Pb\n0.000165 0.999638 0.501675 Pb\n0.000043 0.000060 -0.004852 Pb\n0.499973 0.500030 0.118989 Cl\n0.499867 0.000080 0.618931 O\n0.499908 0.500161 0.747057 O\n0.000036 0.500065 0.900228 O\n0.499902 0.500136 0.490807 O\n0.499936 0.999960 0.337667 O\n-0.000049 0.500204 0.618931 O\n0.999952 0.499981 0.337666 O\n0.500025 0.000048 0.900228 O\n",
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]
}