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{
"id": "jvasp-95248",
"created_at": "2022-09-04T14:35:58.746407Z",
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{
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"structure_string": "Pm1 Be1 O3\n1.0\n3.629104 -0.000000 0.000000\n0.000000 3.629104 0.000000\n-0.000000 0.000000 3.629104\nPm Be O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Pm\n0.499999 0.499999 0.499999 Be\n0.499999 0.499999 -0.000000 O\n0.499999 0.000000 0.499999 O\n-0.000000 0.499999 0.499999 O\n",
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{
"id": "jvasp-48017",
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"updated_at": "2022-09-04T14:36:03.200739Z",
"structure_string": "Fe2 O2 F2\n1.0\n2.879991 0.000000 0.000000\n0.000000 4.556777 0.000000\n0.000000 0.000000 4.370378\nFe O F\n2 2 2\ndirect\n0.000000 0.711431 0.003279 Fe\n0.500000 0.288570 0.503279 Fe\n0.000000 0.428604 0.717170 O\n0.500000 0.571397 0.217170 O\n0.500000 0.929975 0.779552 F\n0.000000 0.070026 0.279552 F\n",
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{
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"updated_at": "2022-09-04T14:38:48.049073Z",
"structure_string": "B1 O1\n1.0\n3.541705 0.517719 0.117604\n-1.597421 -2.038484 0.040734\n0.931538 0.862323 -2.997418\nB O\n1 1\ndirect\n0.990217 0.940971 0.110599 B\n0.490988 0.347276 -0.077699 O\n",
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{
"id": "jvasp-112558",
"created_at": "2022-09-04T14:38:41.462970Z",
"updated_at": "2022-09-04T14:38:41.462996Z",
"structure_string": "Mn2 Co21 B6\n1.0\n6.338161 -0.000000 3.659339\n2.112720 5.975675 3.659339\n-0.000000 -0.000000 7.318678\nMn Co B\n2 21 6\ndirect\n0.250000 0.250000 0.250000 Mn\n0.750000 0.750001 0.750000 Mn\n0.000000 0.000000 0.337491 Co\n-0.000000 0.337491 -0.000000 Co\n0.337491 0.000000 0.000000 Co\n0.000000 0.000000 0.662509 Co\n0.337491 0.000000 0.662509 Co\n-0.000000 0.337491 0.662509 Co\n0.337491 0.662510 0.000000 Co\n-0.000000 0.662510 -0.000000 Co\n0.662509 0.337491 0.000000 Co\n0.662509 0.000000 0.337491 Co\n-0.000000 0.662510 0.337491 Co\n0.621616 0.621617 0.621616 Co\n0.621616 0.621617 0.135152 Co\n0.621616 0.135152 0.621616 Co\n0.135151 0.621617 0.621616 Co\n0.378384 0.378384 0.378384 Co\n0.378384 0.378384 0.864849 Co\n0.378384 0.864849 0.378384 Co\n0.864848 0.378384 0.378384 Co\n0.000000 0.000000 0.000000 Co\n0.662509 0.000000 0.000000 Co\n0.277920 0.722081 0.277920 B\n0.722080 0.277920 0.277920 B\n0.722080 0.277920 0.722080 B\n0.722080 0.722081 0.277920 B\n0.277920 0.722081 0.722080 B\n0.277920 0.277920 0.722080 B\n",
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},
{
"id": "jvasp-33874",
"created_at": "2022-09-04T14:38:15.638401Z",
"updated_at": "2022-09-04T14:38:15.638419Z",
"structure_string": "H6 F4\n1.0\n-4.891554 0.016539 0.016741\n2.434838 -3.365934 -0.314316\n-2.402623 1.195858 5.935786\nH F\n6 4\ndirect\n0.874066 0.470764 0.197348 H\n0.823786 0.950759 0.223011 H\n0.271116 0.386548 0.469937 H\n0.355020 0.614026 0.530459 H\n0.097094 0.049001 0.776884 H\n0.601824 0.529161 0.802516 H\n0.985141 0.717058 0.140767 F\n0.712991 0.119365 0.274485 F\n0.868814 0.879963 0.725071 F\n0.410147 0.283342 0.859513 F\n",
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"volume": 95.57881910704977,
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},
{
"id": "jvasp-34813",
"created_at": "2022-09-04T14:37:11.890048Z",
"updated_at": "2022-09-04T14:37:11.890064Z",
"structure_string": "Li2 Mn4 O8\n1.0\n4.971963 -0.000000 2.870565\n1.657321 4.687612 2.870565\n-0.000000 -0.000000 5.741129\nLi Mn O\n2 4 8\ndirect\n0.125000 0.125000 0.125000 Li\n0.874999 0.875000 0.874999 Li\n0.500000 0.500000 0.500000 Mn\n0.500000 0.000000 0.500000 Mn\n-0.000000 0.500000 0.500000 Mn\n0.500000 0.500000 -0.000001 Mn\n0.262316 0.262317 0.713049 O\n0.737683 0.737683 0.737683 O\n0.737683 0.737683 0.286950 O\n0.262316 0.713049 0.262316 O\n0.262316 0.262317 0.262316 O\n0.286951 0.737683 0.737683 O\n0.737683 0.286951 0.737683 O\n0.713049 0.262317 0.262316 O\n",
"nsites": 14,
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"elements": [
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{
"id": "jvasp-119367",
"created_at": "2022-09-04T14:38:48.235888Z",
"updated_at": "2022-09-04T14:38:48.235912Z",
"structure_string": "Li6 Co6 Sb2 O16\n1.0\n5.898931 0.018508 0.045183\n-0.002951 5.846345 -0.007123\n0.033449 0.002313 8.313443\nLi Co Sb O\n6 6 2 16\ndirect\n0.500003 0.999988 -0.000002 Li\n-0.000002 0.500012 0.500002 Li\n0.750088 0.250018 0.749966 Li\n0.249912 0.749983 0.250034 Li\n0.250095 0.249992 0.249946 Li\n0.749905 0.750009 0.750053 Li\n0.749997 0.750011 0.249997 Co\n0.249981 0.749986 0.749993 Co\n0.250003 0.249990 0.750002 Co\n0.500000 -0.000002 0.500002 Co\n-0.000000 0.500002 -0.000002 Co\n0.750019 0.250015 0.250007 Co\n0.000002 0.000001 -0.000001 Sb\n0.499998 0.499999 0.500000 Sb\n0.267542 0.250451 0.507815 O\n0.266700 0.749928 0.508302 O\n0.766723 0.249962 0.008317 O\n0.732457 0.749537 0.492218 O\n0.232473 0.249533 0.992189 O\n0.767530 0.750480 0.007778 O\n0.483583 0.500740 0.741073 O\n0.531742 0.000202 0.265912 O\n0.016398 0.999256 0.758930 O\n0.516390 0.499213 0.258931 O\n0.968281 0.499841 0.234090 O\n0.468266 0.999788 0.734094 O\n0.031712 0.500170 0.765904 O\n0.733303 0.250065 0.491693 O\n0.983631 0.000792 0.241066 O\n0.233275 0.750046 0.991687 O\n",
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{
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"structure_string": "Ca4 B8 H8\n1.0\n3.198752 -0.000000 0.000000\n-0.000000 3.489486 0.000000\n0.000000 0.000000 17.122354\nCa B H\n4 8 8\ndirect\n0.250000 0.957554 0.885709 Ca\n0.750000 0.457554 0.614290 Ca\n0.750000 0.042447 0.114291 Ca\n0.250000 0.542447 0.385709 Ca\n0.250000 0.871358 0.737324 B\n0.750000 0.371357 0.762676 B\n0.250000 0.628644 0.237324 B\n0.750000 0.128643 0.262676 B\n0.750000 0.559061 0.989076 B\n0.750000 0.940941 0.489076 B\n0.250000 0.440941 0.010924 B\n0.250000 0.059060 0.510923 B\n0.750000 0.885380 0.962574 H\n0.250000 0.890881 0.664272 H\n0.750000 0.390880 0.835727 H\n0.750000 0.109120 0.335727 H\n0.250000 0.609121 0.164272 H\n0.250000 0.114621 0.037425 H\n0.750000 0.614622 0.462575 H\n0.250000 0.385379 0.537425 H\n",
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{
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{
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"created_at": "2022-09-04T14:36:21.703045Z",
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"structure_string": "Li1 Be1 Fe2\n1.0\n-1.890488 1.890488 2.673567\n1.890488 -1.890488 2.673567\n1.890488 1.890488 -2.673567\nLi Be Fe\n1 1 2\ndirect\n0.500001 0.500001 0.000000 Li\n0.750001 0.250000 0.500001 Be\n0.000000 0.000000 0.000000 Fe\n0.250000 0.750001 0.500001 Fe\n",
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{
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"created_at": "2022-09-04T14:37:28.846759Z",
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"structure_string": "Li2 Mn2 O4\n1.0\n2.901181 -0.144110 0.122266\n-1.575394 2.728661 -0.244532\n0.421500 -0.730059 10.006504\nLi Mn O\n2 2 4\ndirect\n0.325662 0.849848 0.247732 Li\n0.674338 0.524186 0.747732 Li\n0.499440 0.687332 0.497775 Mn\n0.500560 0.187892 0.997775 Mn\n0.134117 0.525229 0.883827 O\n0.867018 0.850657 0.111727 O\n0.132983 0.983640 0.611726 O\n0.865883 0.391111 0.383828 O\n",
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]
}