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"structure_string": "Zn4 Fe1 S5\n1.0\n3.800460 0.002022 15.360699\n1.873715 3.306463 15.360699\n0.003468 0.002022 15.823860\nZn Fe S\n4 1 5\ndirect\n0.000341 0.000341 0.000341 Zn\n0.600028 0.600027 0.600029 Zn\n0.199726 0.199726 0.199726 Zn\n0.799407 0.799405 0.799409 Zn\n0.400393 0.400393 0.400394 Fe\n0.950268 0.950266 0.950270 S\n0.549985 0.549984 0.549986 S\n0.149694 0.149694 0.149694 S\n0.749254 0.749252 0.749255 S\n0.350905 0.350904 0.350906 S\n",
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{
"id": "jvasp-117127",
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"updated_at": "2022-09-04T14:38:48.150059Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n6.688860 0.000344 3.513959\n6.087900 2.770978 3.513959\n-0.012024 -0.002608 12.443362\nLi Mn Co O\n8 2 4 14\ndirect\n0.000001 -0.000000 0.500000 Li\n0.296058 0.296058 0.058961 Li\n0.573907 0.573904 0.646207 Li\n0.426095 0.426094 0.353793 Li\n0.703944 0.703941 0.941039 Li\n0.871898 0.871896 0.186324 Li\n0.128104 0.128102 0.813676 Li\n0.500000 0.500000 0.000000 Li\n0.356440 0.356438 0.715490 Mn\n0.643562 0.643560 0.284510 Mn\n0.784216 0.784213 0.572530 Co\n0.068331 0.068331 0.142717 Co\n0.931671 0.931668 0.857283 Co\n0.215786 0.215785 0.427470 Co\n0.893558 0.893557 0.021457 O\n0.955763 0.955760 0.681959 O\n0.241571 0.241570 0.258339 O\n0.526226 0.526224 0.822046 O\n0.382208 0.382207 0.546491 O\n0.667533 0.667532 0.121797 O\n0.809292 0.809290 0.406841 O\n0.106444 0.106442 0.978543 O\n0.044239 0.044239 0.318041 O\n0.332469 0.332466 0.878203 O\n0.617794 0.617792 0.453509 O\n0.473776 0.473775 0.177954 O\n0.758431 0.758429 0.741661 O\n0.190710 0.190709 0.593159 O\n",
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{
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"created_at": "2022-09-04T14:38:48.151017Z",
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"structure_string": "Ba2 La2 Mn4 O12\n1.0\n5.541694 -0.001262 -0.000392\n0.001158 5.541694 -0.000378\n0.000666 0.000642 7.828789\nBa La Mn O\n2 2 4 12\ndirect\n0.500000 -0.000000 0.750000 Ba\n0.999999 0.500000 0.250001 Ba\n0.500000 0.999999 0.249998 La\n0.000001 0.499999 0.750002 La\n0.499999 0.500000 0.500000 Mn\n0.500001 0.499999 -0.000000 Mn\n-0.000000 0.000000 1.000000 Mn\n0.000001 -0.000001 0.500000 Mn\n0.250002 0.749997 0.500000 O\n0.750001 0.249998 0.000000 O\n0.000001 -0.000000 0.749998 O\n0.500000 0.499999 0.249996 O\n0.000000 -0.000000 0.250002 O\n0.250003 0.250001 0.500000 O\n0.749997 0.749998 0.500000 O\n0.249998 0.249998 0.000000 O\n0.249998 0.750001 -0.000000 O\n0.750002 0.750002 -0.000000 O\n0.500000 0.499999 0.750004 O\n0.749998 0.250002 0.500000 O\n",
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"created_at": "2022-09-04T14:38:48.153389Z",
"updated_at": "2022-09-04T14:38:48.153415Z",
"structure_string": "Ni8 Cl4 O12\n1.0\n5.683988 -0.000000 0.000000\n0.000000 6.157665 0.000000\n-0.000000 -0.000000 8.179305\nNi Cl O\n8 4 12\ndirect\n0.500000 0.000000 0.500000 Ni\n-0.000000 0.500000 -0.000000 Ni\n0.500000 0.500000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.307112 0.750001 0.755729 Ni\n0.807113 0.750001 0.744272 Ni\n0.692888 0.250000 0.244272 Ni\n0.192888 0.250000 0.255728 Ni\n0.670541 0.250000 0.967443 Cl\n0.170541 0.250000 0.532558 Cl\n0.329459 0.750001 0.032558 Cl\n0.829459 0.750001 0.467442 Cl\n0.054653 0.548578 0.776117 O\n0.312797 0.750001 0.522748 O\n0.812797 0.750001 0.977253 O\n0.687203 0.250000 0.477253 O\n0.187203 0.250000 0.022748 O\n0.054653 0.951423 0.776117 O\n0.554653 0.548578 0.723884 O\n0.945347 0.451423 0.223884 O\n0.445347 0.048578 0.276116 O\n0.945347 0.048578 0.223884 O\n0.445347 0.451423 0.276116 O\n0.554653 0.951423 0.723884 O\n",
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{
"id": "jvasp-114075",
"created_at": "2022-09-04T14:38:48.153561Z",
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"structure_string": "Ba1 Sn1 S1\n1.0\n6.350127 0.000000 0.000000\n0.000000 6.350127 0.000000\n0.000000 0.000000 4.762595\nBa Sn S\n1 1 1\ndirect\n0.394924 0.000390 0.000000 Ba\n-0.037178 -0.087863 0.000000 Sn\n0.061419 0.355731 0.000000 S\n",
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{
"id": "jvasp-113533",
"created_at": "2022-09-04T14:38:48.158276Z",
"updated_at": "2022-09-04T14:38:48.158296Z",
"structure_string": "C1 S1 O1\n1.0\n6.350127 0.000000 0.000000\n0.000000 6.350127 0.000000\n0.000000 0.000000 4.762595\nC S O\n1 1 1\ndirect\n0.288923 0.000996 0.000000 C\n-0.106868 -0.080153 0.000000 S\n0.045843 0.267074 0.000000 O\n",
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{
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"structure_string": "Li1 Br2\n1.0\n4.219697 0.713139 -0.046354\n-1.140942 -5.632288 -0.052105\n0.322959 3.260294 -3.415423\nLi Br\n1 2\ndirect\n-0.012117 0.031606 0.027075 Li\n0.132932 0.885436 0.381237 Br\n0.618170 0.400422 0.396326 Br\n",
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