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{
"id": "jvasp-8424",
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"structure_string": "Ba1 Al1 Cu1 Mo1 O5\n1.0\n3.749299 0.000000 0.000000\n0.000000 3.749299 0.000000\n0.000000 0.000000 8.291995\nBa Al Cu Mo O\n1 1 1 1 5\ndirect\n0.000000 0.000000 0.968065 Ba\n0.000000 0.000000 0.556916 Al\n0.500000 0.500000 0.719446 Cu\n0.500000 0.500000 0.302636 Mo\n0.500000 0.000000 0.400071 O\n0.000000 0.500000 0.400071 O\n0.500000 0.000000 0.697718 O\n0.000000 0.500000 0.697718 O\n0.500000 0.500000 0.069421 O\n",
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{
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"structure_string": "Fe2 Ni4 O8\n1.0\n5.023169 -0.000000 2.900129\n1.674390 4.735889 2.900129\n-0.000000 -0.000000 5.800256\nFe Ni O\n2 4 8\ndirect\n0.125000 0.125000 0.125000 Fe\n0.875000 0.875000 0.875001 Fe\n0.500000 0.500000 0.000000 Ni\n-0.000000 0.500000 0.500000 Ni\n0.500000 0.000000 0.500000 Ni\n0.500000 0.500000 0.500000 Ni\n0.275379 0.741540 0.741541 O\n0.258460 0.724622 0.258460 O\n0.724622 0.258460 0.258460 O\n0.258460 0.258460 0.258460 O\n0.258460 0.258460 0.724622 O\n0.741540 0.275379 0.741541 O\n0.741540 0.741540 0.275379 O\n0.741540 0.741540 0.741541 O\n",
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{
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"created_at": "2022-09-04T14:36:05.465962Z",
"updated_at": "2022-09-04T14:36:05.465973Z",
"structure_string": "Sm3 Co6 Sn5\n1.0\n4.180057 0.000000 1.141576\n1.595691 7.661528 2.380876\n0.011925 0.002835 8.180078\nSm Co Sn\n3 6 5\ndirect\n0.682809 0.317192 0.317192 Sm\n0.317193 0.682809 0.682808 Sm\n0.000000 0.000000 0.000000 Sm\n0.893419 0.380360 0.832807 Co\n0.106582 0.619641 0.167194 Co\n0.893419 0.832807 0.380360 Co\n0.500000 0.697186 0.302815 Co\n0.500001 0.302815 0.697186 Co\n0.106583 0.167194 0.619641 Co\n0.675805 0.984173 0.664219 Sn\n0.324196 0.335782 0.015827 Sn\n0.675805 0.664219 0.984173 Sn\n0.000000 0.500000 0.500000 Sn\n0.324197 0.015827 0.335782 Sn\n",
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{
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"created_at": "2022-09-04T14:38:35.902225Z",
"updated_at": "2022-09-04T14:38:35.902245Z",
"structure_string": "Na4 Si6 O14\n1.0\n4.874103 -0.000000 -0.000000\n-2.437051 4.401693 -0.965070\n-0.000000 0.033048 11.580026\nNa Si O\n4 6 14\ndirect\n0.852011 0.297334 0.184230 Na\n0.554677 0.702665 0.315770 Na\n0.147989 0.702665 0.815770 Na\n0.445322 0.297335 0.684230 Na\n0.171293 0.914314 0.114705 Si\n0.828707 0.085686 0.885295 Si\n0.743020 0.914314 0.614705 Si\n-0.000000 0.500000 0.500000 Si\n0.500000 0.500000 -0.000000 Si\n0.256979 0.085686 0.385295 Si\n0.925074 0.719234 0.629151 O\n0.205839 0.280766 0.870850 O\n0.643676 0.000000 0.750000 O\n0.316165 0.729860 0.033444 O\n0.586304 0.270139 0.466556 O\n0.683834 0.270139 0.966556 O\n0.413695 0.729861 0.533444 O\n0.003148 0.752834 0.410466 O\n0.250314 0.247166 0.089534 O\n0.996852 0.247166 0.589535 O\n0.749686 0.752834 0.910466 O\n0.356323 0.000000 0.250000 O\n0.794160 0.719234 0.129151 O\n0.074925 0.280766 0.370849 O\n",
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{
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"updated_at": "2022-09-04T14:38:04.862211Z",
"structure_string": "Li6 Fe1 Si2 O8\n1.0\n5.080147 0.023852 0.001581\n0.412677 5.446395 -0.060727\n1.158475 0.057122 6.059381\nLi Fe Si O\n6 1 2 8\ndirect\n0.847141 0.600868 0.190649 Li\n0.383923 0.737232 0.967435 Li\n0.229292 0.631413 0.391611 Li\n0.770710 0.368586 0.608389 Li\n0.616079 0.262766 0.032564 Li\n0.152862 0.399130 0.809351 Li\n0.500001 -0.000000 0.500000 Fe\n0.119802 0.197085 0.275057 Si\n0.880200 0.802913 0.724942 Si\n0.706116 0.067914 0.776699 O\n0.211000 0.785647 0.706616 O\n0.293886 0.932084 0.223300 O\n0.814572 0.711933 0.484288 O\n0.765945 0.588286 0.901921 O\n0.234058 0.411712 0.098078 O\n0.185430 0.288066 0.515711 O\n0.789003 0.214352 0.293383 O\n",
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"formula_full": "Li6 Fe1 Si2 O8",
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{
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"created_at": "2022-09-04T14:36:07.696637Z",
"updated_at": "2022-09-04T14:36:07.696663Z",
"structure_string": "Ba1 Mn2 Sn1\n1.0\n4.905414 0.000000 0.000000\n0.000000 4.905414 0.000000\n0.000000 0.000000 4.243797\nBa Mn Sn\n1 2 1\ndirect\n0.000000 0.000000 0.500000 Ba\n0.500000 0.000000 0.000000 Mn\n0.000000 0.500000 0.000000 Mn\n0.500000 0.500000 0.500000 Sn\n",
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{
"id": "jvasp-12580",
"created_at": "2022-09-04T14:37:57.315179Z",
"updated_at": "2022-09-04T14:37:57.315207Z",
"structure_string": "Cu2 H4 Se2 O10\n1.0\n5.129923 0.014427 0.015321\n-0.837848 5.538495 -0.098290\n-2.147598 -1.976973 6.905998\nCu H Se O\n2 4 2 10\ndirect\n0.000000 0.000000 0.000000 Cu\n0.499999 0.500000 0.500000 Cu\n0.912184 0.478940 0.768864 H\n0.087814 0.521060 0.231136 H\n0.032484 0.675314 0.665343 H\n0.967515 0.324686 0.334657 H\n0.568694 0.868568 0.229000 Se\n0.431304 0.131433 0.771000 Se\n0.329345 0.346011 0.659885 O\n0.670654 0.653989 0.340116 O\n0.297468 0.840948 0.621140 O\n0.702531 0.159052 0.378860 O\n0.667735 0.815820 0.029900 O\n0.213611 0.802332 0.152893 O\n0.332264 0.184180 0.970100 O\n0.125843 0.381564 0.288581 O\n0.786387 0.197669 0.847107 O\n0.874155 0.618436 0.711419 O\n",
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{
"id": "jvasp-118497",
"created_at": "2022-09-04T14:38:45.112508Z",
"updated_at": "2022-09-04T14:38:45.112524Z",
"structure_string": "Si1 H1 O2\n1.0\n1.358175 0.784143 5.941672\n-1.358175 0.784143 5.941672\n-0.000000 -1.568286 5.941672\nSi H O\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Si\n0.499998 0.499998 0.500004 H\n0.282761 0.282761 0.282765 O\n0.717235 0.717235 0.717244 O\n",
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{
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"structure_string": "Ca4 Ag2 W2 O12\n1.0\n0.000000 5.587999 -0.030514\n5.966800 0.000000 0.000000\n0.000000 -5.474811 -7.621218\nCa Ag W O\n4 2 2 12\ndirect\n0.268522 0.068529 0.253043 Ca\n0.731478 0.568528 0.246957 Ca\n0.731478 0.931471 0.746957 Ca\n0.268522 0.431471 0.753043 Ca\n0.500000 0.000000 -0.000000 Ag\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.500000 W\n0.000000 0.500000 0.000000 W\n0.878961 0.946088 0.260234 O\n0.121039 0.446088 0.239765 O\n0.340056 0.337481 0.051277 O\n0.659943 0.837481 0.448722 O\n0.659944 0.662519 0.948722 O\n0.220601 0.776275 0.068431 O\n0.779399 0.223725 0.931569 O\n0.220601 0.723725 0.568431 O\n0.121039 0.053912 0.739766 O\n0.779399 0.276275 0.431568 O\n0.340057 0.162519 0.551277 O\n0.878961 0.553912 0.760234 O\n",
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{
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"structure_string": "Mg4 Ti2 Ir2 O12\n1.0\n0.000000 5.142560 0.011432\n5.312342 0.000000 0.000000\n0.000000 -5.113236 -7.516085\nMg Ti Ir O\n4 2 2 12\ndirect\n0.247860 0.945291 0.253351 Mg\n0.752140 0.445291 0.246650 Mg\n0.247860 0.554708 0.753351 Mg\n0.752140 0.054709 0.746650 Mg\n0.000000 0.500000 0.000000 Ti\n-0.000000 0.000000 0.500000 Ti\n0.500000 0.500000 0.500000 Ir\n0.500000 0.000000 0.000000 Ir\n0.102656 0.812627 0.928353 O\n0.256863 0.321511 0.937153 O\n0.897344 0.312627 0.571648 O\n0.622471 0.069586 0.252337 O\n0.377529 0.930413 0.747664 O\n0.897344 0.187373 0.071648 O\n0.743137 0.678489 0.062848 O\n0.256863 0.178489 0.437152 O\n0.743137 0.821511 0.562849 O\n0.622471 0.430413 0.752337 O\n0.102657 0.687372 0.428353 O\n0.377529 0.569586 0.247664 O\n",
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{
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"structure_string": "Li1 Al2 Tc1\n1.0\n0.000000 3.045240 3.045240\n3.045240 -0.000000 3.045240\n3.045240 3.045240 0.000000\nLi Al Tc\n1 2 1\ndirect\n0.249999 0.249999 0.249999 Li\n0.500001 0.500001 0.500001 Al\n0.000000 0.000000 0.000000 Al\n0.749999 0.749999 0.749999 Tc\n",
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}