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{
"id": "jvasp-115024",
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{
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{
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"created_at": "2022-09-04T14:38:37.094854Z",
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"structure_string": "Mg8 Si4\n1.0\n4.204488 -0.000000 0.000000\n-0.000000 7.053916 0.000000\n0.000000 0.000000 8.040913\nMg Si\n8 4\ndirect\n0.250000 0.032577 0.836075 Mg\n0.250000 0.532578 0.663925 Mg\n0.750000 0.967423 0.163925 Mg\n0.750000 0.467423 0.336075 Mg\n0.250000 0.139019 0.439146 Mg\n0.250000 0.639019 0.060854 Mg\n0.750000 0.860981 0.560853 Mg\n0.750000 0.360981 0.939146 Mg\n0.250000 0.253301 0.125792 Si\n0.250000 0.753301 0.374208 Si\n0.750000 0.746700 0.874208 Si\n0.750000 0.246700 0.625791 Si\n",
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{
"id": "jvasp-118923",
"created_at": "2022-09-04T14:38:49.049510Z",
"updated_at": "2022-09-04T14:38:49.049521Z",
"structure_string": "Au1 C1\n1.0\n3.553168 -0.000000 -0.000000\n-1.776584 3.077134 0.000000\n-0.000000 0.000000 2.980267\nAu C\n1 1\ndirect\n0.000000 0.000000 0.000000 Au\n0.333334 0.666667 0.000000 C\n",
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"formula_full": "Au1 C1",
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{
"id": "jvasp-116273",
"created_at": "2022-09-04T14:38:41.504384Z",
"updated_at": "2022-09-04T14:38:41.504409Z",
"structure_string": "Li1 H2\n1.0\n4.446406 0.000000 0.014345\n0.000000 2.715440 0.000000\n-0.005973 0.000000 2.310419\nLi H\n1 2\ndirect\n0.466663 0.000000 0.133198 Li\n-0.125702 0.000000 -0.366582 H\n0.059040 0.000000 0.633385 H\n",
"nsites": 3,
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"elements": [
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{
"id": "jvasp-12896",
"created_at": "2022-09-04T14:38:30.605583Z",
"updated_at": "2022-09-04T14:38:30.605611Z",
"structure_string": "Pt4 I8\n1.0\n0.000000 6.711074 0.050032\n8.701878 0.000000 0.000000\n0.000000 -1.510726 -6.777316\nPt I\n4 8\ndirect\n0.239024 0.626957 0.496829 Pt\n0.760975 0.126957 0.003172 Pt\n0.760975 0.373043 0.503172 Pt\n0.239024 0.873043 -0.003171 Pt\n0.463861 0.833210 0.733405 I\n0.536138 0.333210 0.766596 I\n0.536138 0.166791 0.266595 I\n0.463861 0.666791 0.233405 I\n0.984193 0.914481 0.229377 I\n0.015806 0.414481 0.270623 I\n0.015806 0.085519 0.770623 I\n0.984193 0.585519 0.729378 I\n",
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"elements": [
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{
"id": "jvasp-118101",
"created_at": "2022-09-04T14:38:48.143652Z",
"updated_at": "2022-09-04T14:38:48.143667Z",
"structure_string": "Cl1 O1\n1.0\n3.659483 0.000000 -0.000000\n-1.829742 3.169205 0.000000\n-0.000000 -0.000000 3.424421\nCl O\n1 1\ndirect\n0.000000 0.000000 0.000000 Cl\n0.333333 0.666668 0.000000 O\n",
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{
"id": "jvasp-110741",
"created_at": "2022-09-04T14:38:37.207583Z",
"updated_at": "2022-09-04T14:38:37.207593Z",
"structure_string": "Ac3 Zr1\n1.0\n4.842791 -0.011341 -4.338294\n-0.973961 4.743854 -4.338294\n0.009272 0.011341 6.501794\nAc Zr\n3 1\ndirect\n0.750000 0.250000 0.500000 Ac\n0.250000 0.749999 0.500000 Ac\n0.500000 0.500000 0.000000 Ac\n0.000000 0.000000 0.000000 Zr\n",
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{
"id": "jvasp-116268",
"created_at": "2022-09-04T14:38:41.467088Z",
"updated_at": "2022-09-04T14:38:41.467114Z",
"structure_string": "Li2 H2\n1.0\n3.147277 0.721929 0.307936\n-0.936832 -3.095015 -0.255251\n-0.592670 -2.864536 -4.313323\nLi H\n2 2\ndirect\n0.971297 0.937148 0.053156 Li\n0.638078 0.770553 0.553142 Li\n0.971423 0.437211 0.553116 H\n0.637957 0.270550 0.053141 H\n",
"nsites": 4,
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{
"id": "jvasp-102472",
"created_at": "2022-09-04T14:38:46.837388Z",
"updated_at": "2022-09-04T14:38:46.837416Z",
"structure_string": "Ce2 Pm6\n1.0\n7.215526 0.000000 0.000000\n-3.607763 6.248829 0.000000\n-0.000000 -0.000000 5.825429\nCe Pm\n2 6\ndirect\n0.333334 0.666667 0.750000 Ce\n0.666667 0.333333 0.250000 Ce\n0.167399 0.334798 0.250000 Pm\n0.665203 0.832601 0.250000 Pm\n0.167399 0.832601 0.250000 Pm\n0.832602 0.665202 0.750000 Pm\n0.334798 0.167399 0.750000 Pm\n0.832602 0.167399 0.750000 Pm\n",
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{
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"created_at": "2022-09-04T14:38:48.487051Z",
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"structure_string": "I1 Br2\n1.0\n4.174890 0.180665 -0.588499\n1.402465 -6.527719 0.129747\n1.313114 0.397466 -3.987024\nI Br\n1 2\ndirect\n0.054249 0.045692 0.899089 I\n0.350793 0.348973 0.560941 Br\n0.757678 0.742389 0.237271 Br\n",
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{
"id": "jvasp-110399",
"created_at": "2022-09-04T14:38:37.956710Z",
"updated_at": "2022-09-04T14:38:37.956736Z",
"structure_string": "Ac2 Pm6\n1.0\n7.459022 0.000000 -0.000000\n-3.729512 6.459703 0.000000\n-0.000000 -0.000000 6.001355\nAc Pm\n2 6\ndirect\n0.333333 0.666667 0.749999 Ac\n0.666667 0.333333 0.250000 Ac\n0.162833 0.325666 0.250000 Pm\n0.674334 0.837167 0.250000 Pm\n0.162833 0.837167 0.250000 Pm\n0.837167 0.674334 0.749999 Pm\n0.325666 0.162833 0.749999 Pm\n0.837167 0.162833 0.749999 Pm\n",
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