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{
"id": "jvasp-103538",
"created_at": "2022-09-04T14:36:35.435785Z",
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"structure_string": "Cr2 Cl2 O2\n1.0\n3.204396 0.000000 0.000000\n-0.000000 3.861893 0.000000\n0.000000 0.000000 7.719426\nCr Cl O\n2 2 2\ndirect\n0.249999 0.250000 0.110631 Cr\n0.750002 0.750000 0.889370 Cr\n0.249999 0.750000 0.670321 Cl\n0.750002 0.250000 0.329679 Cl\n0.750002 0.250000 0.946752 O\n0.249999 0.750000 0.053249 O\n",
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{
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"structure_string": "Cu2 Te2\n1.0\n3.246073 -0.000000 0.000000\n0.000000 4.033582 0.000000\n0.000000 0.000000 7.085349\nCu Te\n2 2\ndirect\n0.250000 0.750000 0.459853 Cu\n0.749999 0.250000 0.540147 Cu\n0.250000 0.250000 0.224366 Te\n0.749999 0.750000 0.775634 Te\n",
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{
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"structure_string": "Mg2 Ti4 O10\n1.0\n0.000000 4.829735 -0.001315\n3.393641 0.000000 0.000000\n0.000000 0.001209 -11.968433\nMg Ti O\n2 4 10\ndirect\n0.123210 0.250000 0.249934 Mg\n0.876791 0.750000 0.750066 Mg\n0.588343 0.750000 0.102996 Ti\n0.411658 0.250000 0.897004 Ti\n0.411801 0.250000 0.603040 Ti\n0.588200 0.750000 0.396960 Ti\n0.575525 0.250000 0.750017 O\n0.424476 0.750000 0.249982 O\n0.424149 0.250000 0.072658 O\n0.575852 0.750000 0.927341 O\n0.424068 0.250000 0.427371 O\n0.575933 0.750000 0.572628 O\n0.935830 0.750000 0.359222 O\n0.064171 0.250000 0.640777 O\n0.064037 0.250000 0.859353 O\n0.935965 0.750000 0.140647 O\n",
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{
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"updated_at": "2022-09-04T14:36:36.270565Z",
"structure_string": "Li2 Mn2 O4\n1.0\n2.815196 0.000000 0.000000\n0.000000 4.668048 0.000000\n0.000000 0.000000 5.713332\nLi Mn O\n2 2 4\ndirect\n0.500001 0.500000 0.878622 Li\n0.000000 0.000000 0.121378 Li\n0.500001 0.500000 0.362681 Mn\n0.000000 0.000000 0.637318 Mn\n0.500001 0.000000 0.862874 O\n0.000000 0.500000 0.600284 O\n0.500001 0.000000 0.399716 O\n0.000000 0.500000 0.137126 O\n",
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"spacegroup": 59
},
{
"id": "jvasp-30571",
"created_at": "2022-09-04T14:36:39.156266Z",
"updated_at": "2022-09-04T14:36:39.156279Z",
"structure_string": "V4 O10\n1.0\n3.564046 -0.000018 0.000003\n-0.000001 4.287232 -0.000131\n0.000008 -0.000094 11.738594\nV O\n4 10\ndirect\n0.018559 0.889432 0.147815 V\n0.518584 0.110577 0.352185 V\n0.518565 0.110569 0.647815 V\n0.018578 0.889424 0.852183 V\n0.518566 -0.004012 0.181813 O\n0.018575 0.004024 0.318186 O\n0.018570 0.004011 0.681813 O\n0.518573 -0.004021 0.818186 O\n0.018579 0.513709 0.853912 O\n0.518565 0.486283 0.646089 O\n0.518574 0.486291 0.353914 O\n0.518570 0.007359 0.499998 O\n0.018571 -0.007358 0.000000 O\n0.018568 0.513718 0.146087 O\n",
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{
"id": "jvasp-4167",
"created_at": "2022-09-04T14:36:40.534502Z",
"updated_at": "2022-09-04T14:36:40.534527Z",
"structure_string": "V2 Br2 O2\n1.0\n3.429432 0.000000 0.000000\n0.000000 3.788139 0.000000\n0.000000 0.000000 8.345251\nV Br O\n2 2 2\ndirect\n0.500000 0.500000 0.894390 V\n0.000000 0.000000 0.105610 V\n0.000000 0.500000 0.673825 Br\n0.500000 0.000000 0.326175 Br\n0.500000 0.000000 0.956588 O\n0.000000 0.500000 0.043412 O\n",
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{
"id": "jvasp-8628",
"created_at": "2022-09-04T14:36:40.911616Z",
"updated_at": "2022-09-04T14:36:40.911633Z",
"structure_string": "Na2 Mn2 O4\n1.0\n2.875089 0.000000 0.000000\n0.000000 4.858801 0.000000\n0.000000 0.000000 6.319580\nNa Mn O\n2 2 4\ndirect\n0.500000 0.000000 0.124801 Na\n0.000000 0.500000 0.875199 Na\n0.500000 0.000000 0.625891 Mn\n0.000000 0.500000 0.374109 Mn\n0.000000 0.000000 0.418607 O\n0.500000 0.500000 0.581393 O\n0.000000 0.000000 0.829714 O\n0.500000 0.500000 0.170286 O\n",
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{
"id": "jvasp-29560",
"created_at": "2022-09-04T14:36:40.917034Z",
"updated_at": "2022-09-04T14:36:40.917050Z",
"structure_string": "Hf2 Br2 N2\n1.0\n3.571402 0.000000 0.000000\n0.000000 4.114141 0.000000\n0.000000 0.000000 8.669175\nHf Br N\n2 2 2\ndirect\n0.750000 0.250000 0.099807 Hf\n0.250000 0.750000 0.900194 Hf\n0.750000 0.750000 0.660820 Br\n0.250000 0.250000 0.339180 Br\n0.750000 0.750000 0.035376 N\n0.250000 0.250000 0.964624 N\n",
"nsites": 6,
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{
"id": "jvasp-100452",
"created_at": "2022-09-04T14:36:41.583611Z",
"updated_at": "2022-09-04T14:36:41.583629Z",
"structure_string": "Sr2 Ca4 N4\n1.0\n3.415115 0.000000 0.000000\n0.000000 3.733478 0.000000\n0.000000 0.000000 14.379102\nSr Ca N\n2 4 4\ndirect\n0.606957 0.250000 0.250000 Sr\n0.393042 0.750000 0.750000 Sr\n0.242268 0.250000 0.931081 Ca\n0.242268 0.250000 0.568919 Ca\n0.757730 0.750000 0.068919 Ca\n0.757730 0.750000 0.431081 Ca\n0.214412 0.250000 0.397451 N\n0.214412 0.250000 0.102549 N\n0.785586 0.750000 0.602549 N\n0.785586 0.750000 0.897451 N\n",
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{
"id": "jvasp-21540",
"created_at": "2022-09-04T14:36:42.865841Z",
"updated_at": "2022-09-04T14:36:42.865869Z",
"structure_string": "K8 Sb8 F32\n1.0\n4.489703 0.000000 0.000000\n0.000000 11.692525 0.000000\n0.000000 0.000000 16.195802\nK Sb F\n8 8 32\ndirect\n0.618723 0.000000 0.618488 K\n0.618723 0.000000 0.381511 K\n0.381276 0.500000 0.881511 K\n0.381276 0.500000 0.118488 K\n0.000000 0.250000 0.750000 K\n0.000000 0.750000 0.250000 K\n0.000000 0.750000 0.750000 K\n0.000000 0.250000 0.250000 K\n0.067480 0.752268 0.500000 Sb\n0.932520 0.747732 0.000000 Sb\n0.932520 0.252268 0.000000 Sb\n0.067480 0.247732 0.500000 Sb\n0.571019 0.500000 0.654217 Sb\n0.428980 0.000000 0.154217 Sb\n0.428980 0.000000 0.845783 Sb\n0.571019 0.500000 0.345783 Sb\n0.484070 0.620196 0.742047 F\n0.515930 0.879803 0.242047 F\n0.515930 0.120196 0.757953 F\n0.515930 0.120196 0.242047 F\n0.515930 0.879803 0.757953 F\n0.484070 0.620196 0.257953 F\n0.125156 0.132861 0.405327 F\n0.125156 0.867139 0.594672 F\n0.874844 0.632860 0.094673 F\n0.874844 0.367139 0.905327 F\n0.874844 0.367139 0.094673 F\n0.874844 0.632860 0.905327 F\n0.484070 0.379803 0.257953 F\n0.484070 0.379803 0.742047 F\n0.819876 0.350736 0.404189 F\n0.961987 0.500000 0.288412 F\n0.180123 0.850736 0.095811 F\n0.180123 0.149264 0.904189 F\n0.180123 0.149264 0.095811 F\n0.180123 0.850736 0.904189 F\n0.819876 0.649263 0.404189 F\n0.819876 0.350736 0.595811 F\n0.125156 0.867139 0.405327 F\n0.961987 0.500000 0.711588 F\n0.038013 0.000000 0.211588 F\n0.038013 0.000000 0.788412 F\n0.669033 0.170245 0.500000 F\n0.669033 0.829755 0.500000 F\n0.330966 0.670245 0.000000 F\n0.330966 0.329755 0.000000 F\n0.819876 0.649263 0.595811 F\n0.125156 0.132861 0.594672 F\n",
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{
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"created_at": "2022-09-04T14:36:45.829087Z",
"updated_at": "2022-09-04T14:36:45.829097Z",
"structure_string": "Er2 Se2 I2\n1.0\n4.181129 0.000000 0.000000\n0.000000 5.596878 0.000000\n0.000000 0.000000 8.807689\nEr Se I\n2 2 2\ndirect\n0.500000 0.000000 0.874544 Er\n0.000000 0.500000 0.125457 Er\n0.500000 0.500000 0.906939 Se\n0.000000 0.000000 0.093061 Se\n0.000000 0.000000 0.629295 I\n0.500000 0.500000 0.370705 I\n",
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{
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"created_at": "2022-09-04T14:36:45.949681Z",
"updated_at": "2022-09-04T14:36:45.949702Z",
"structure_string": "Cr4 O10\n1.0\n3.563120 -0.000028 0.000002\n-0.000051 4.551641 -0.000001\n0.000011 -0.000002 11.086840\nCr O\n4 10\ndirect\n0.018564 0.880892 0.150891 Cr\n0.518576 0.119136 0.349108 Cr\n0.518564 0.119106 0.650892 Cr\n0.018577 0.880867 0.849107 Cr\n0.518569 0.993628 0.182346 O\n0.018572 0.006411 0.317651 O\n0.018564 0.006368 0.682346 O\n0.518577 0.993593 0.817651 O\n0.018582 0.534951 0.853151 O\n0.518562 0.465018 0.646856 O\n0.518579 0.465052 0.353158 O\n0.518572 0.010883 0.499998 O\n0.018569 -0.010883 -0.000002 O\n0.018564 0.534979 0.146849 O\n",
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}
]
}