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{
"id": "jvasp-90098",
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{
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"updated_at": "2022-09-04T14:37:58.601585Z",
"structure_string": "Tm1 Be1 O3\n1.0\n3.525128 0.000000 -0.000000\n-0.000000 3.525128 -0.000000\n0.000000 0.000000 3.525128\nTm Be O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Tm\n0.500000 0.500000 0.500000 Be\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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"formula_full": "Tm1 Be1 O3",
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{
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"created_at": "2022-09-04T14:38:04.469134Z",
"updated_at": "2022-09-04T14:38:04.469144Z",
"structure_string": "Li4 Mn4 O6\n1.0\n0.000000 5.043523 0.074767\n4.788805 0.000000 0.000000\n0.000000 -2.345959 -5.113239\nLi Mn O\n4 4 6\ndirect\n0.233021 0.679659 0.092756 Li\n0.733021 0.820340 0.092755 Li\n0.266978 0.179659 0.907244 Li\n0.766978 0.320340 0.907244 Li\n0.762208 0.369987 0.388548 Mn\n0.737791 0.869986 0.611451 Mn\n0.262208 0.130013 0.388548 Mn\n0.237791 0.630012 0.611452 Mn\n0.500000 0.500000 -0.000000 O\n0.000000 0.000000 0.000000 O\n0.563312 0.031763 0.280458 O\n0.936687 0.531763 0.719541 O\n0.063312 0.468236 0.280458 O\n0.436687 0.968236 0.719542 O\n",
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"volume": 122.65728196435636,
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{
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"created_at": "2022-09-04T14:36:07.248377Z",
"updated_at": "2022-09-04T14:36:07.248403Z",
"structure_string": "U1 Fe2 B6\n1.0\n-1.566184 3.070762 4.098894\n1.566184 -3.070762 4.098894\n1.566184 3.070762 -4.098894\nU Fe B\n1 2 6\ndirect\n0.500000 0.000000 0.500000 U\n0.846429 0.846429 0.000000 Fe\n0.153570 0.153570 0.000000 Fe\n0.855175 0.499999 0.355175 B\n0.144824 0.499999 0.644823 B\n0.957209 0.696068 0.261141 B\n0.434927 0.696067 0.738857 B\n0.565072 0.303931 0.261141 B\n0.042791 0.303931 0.738857 B\n",
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{
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"structure_string": "Sn1 H22 C12 O4\n1.0\n4.947819 0.056721 0.421284\n1.313480 6.991830 2.621098\n-0.005695 -0.316847 9.784166\nSn H C O\n1 22 12 4\ndirect\n0.326700 0.348552 0.120622 Sn\n0.503954 0.675095 0.616944 H\n0.086718 0.045245 0.223038 H\n0.387889 0.014009 0.324896 H\n0.560583 0.657181 0.032448 H\n0.196003 0.730239 0.065187 H\n0.339465 0.494147 0.725364 H\n0.427382 0.974845 0.151689 H\n0.387083 0.346116 0.525705 H\n0.707409 0.368078 0.578244 H\n0.670723 0.678703 0.365015 H\n0.315764 0.668402 0.904430 H\n0.277642 0.896813 0.711428 H\n0.381839 0.614017 0.309632 H\n0.877658 0.923920 0.887931 H\n0.691917 0.109090 0.751773 H\n0.242778 0.114239 0.874267 H\n0.079899 0.293637 0.728055 H\n0.114929 0.795168 0.444678 H\n0.882522 0.710072 0.754126 H\n0.724036 0.884761 0.600677 H\n0.078354 0.073718 0.573871 H\n0.963767 0.600639 0.538919 H\n0.038680 0.181608 0.826469 C\n0.064194 0.958843 0.675748 C\n0.902083 0.040599 0.789460 C\n0.087569 0.697840 0.552950 C\n0.925803 0.810451 0.649183 C\n0.575148 0.559281 0.368966 C\n0.871170 0.282328 0.926543 C\n0.367124 0.580552 0.613076 C\n0.769256 0.429250 0.299077 C\n0.303453 0.057367 0.216807 C\n0.352487 0.639265 0.018653 C\n0.512411 0.449755 0.526274 C\n0.021265 0.446940 0.281926 O\n-0.023104 0.393341 0.971334 O\n0.625575 0.255143 0.957992 O\n0.680207 0.302344 0.264949 O\n",
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{
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"created_at": "2022-09-04T14:38:26.320597Z",
"updated_at": "2022-09-04T14:38:26.320622Z",
"structure_string": "Mn2 Co2 O6\n1.0\n4.118403 0.000295 2.377448\n1.372779 4.474291 2.377345\n0.000319 0.000363 4.755326\nMn Co O\n2 2 6\ndirect\n0.849266 0.452197 0.849257 Mn\n0.150733 0.547804 0.150744 Mn\n0.654140 0.037580 0.654142 Co\n0.345860 0.962419 0.345859 Co\n0.437432 0.749279 0.062924 O\n0.750361 0.749293 0.437434 O\n0.062917 0.749273 0.750371 O\n0.562567 0.250721 0.937074 O\n0.249639 0.250707 0.562567 O\n0.937080 0.250727 0.249631 O\n",
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{
"id": "jvasp-101907",
"created_at": "2022-09-04T14:37:10.290241Z",
"updated_at": "2022-09-04T14:37:10.290259Z",
"structure_string": "Zn1 H6 C5 O4\n1.0\n3.855453 0.255493 0.097837\n1.247725 4.381752 0.366285\n-0.742041 0.123969 8.452996\nZn H C O\n1 6 5 4\ndirect\n0.765573 0.857513 0.760621 Zn\n0.828257 0.503014 0.379861 H\n0.284151 0.481730 0.437623 H\n0.085573 0.037819 0.219002 H\n0.936603 0.601196 0.097543 H\n0.538484 0.023637 0.277788 H\n0.395676 0.565317 0.144436 H\n0.143416 0.117588 0.544875 C\n0.114845 0.340811 0.401191 C\n0.250945 0.182496 0.252612 C\n0.217287 0.427573 0.115581 C\n0.324272 0.310163 0.957484 C\n0.884648 0.189992 0.635611 O\n0.429001 0.869236 0.571602 O\n0.546773 0.030108 0.955800 O\n0.208602 0.494395 0.831181 O\n",
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{
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"structure_string": "Li4 V2 O4 F2\n1.0\n-0.000001 -2.036057 -2.036034\n0.010267 4.154855 -4.154837\n6.217621 0.027940 -2.063978\nLi V O F\n4 2 4 2\ndirect\n0.000618 0.485369 -0.001239 Li\n0.332745 0.181304 0.334561 Li\n0.666636 0.333331 0.666666 Li\n0.666642 0.833337 0.666663 Li\n0.992328 0.004777 0.015330 V\n0.341014 0.661886 0.318008 V\n0.504600 0.238286 0.990785 O\n0.499883 0.758644 0.000231 O\n0.828735 0.428378 0.342553 O\n0.833464 0.908022 0.333105 O\n0.163796 0.078659 0.672383 F\n0.169532 0.588008 0.660956 F\n",
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"structure_string": "Li8 Nb1 O6\n1.0\n5.432972 -0.008479 -0.047028\n-2.709429 4.709350 0.015002\n-2.674443 -1.555315 5.168021\nLi Nb O\n8 1 6\ndirect\n0.871051 0.766355 0.361750 Li\n0.404616 0.895320 0.638213 Li\n0.742975 0.509333 0.638311 Li\n0.314659 0.657424 0.971769 Li\n0.685340 0.342575 0.028230 Li\n0.257024 0.490665 0.361688 Li\n0.595382 0.104679 0.361787 Li\n0.128948 0.233644 0.638249 Li\n0.000000 0.000000 0.000000 Nb\n0.144404 0.908870 0.755180 O\n0.153635 0.764503 0.244822 O\n0.480362 0.389132 0.244863 O\n0.519637 0.610866 0.755136 O\n0.846364 0.235496 0.755177 O\n0.855595 0.091129 0.244819 O\n",
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"structure_string": "Li2 H2 O2\n1.0\n3.508586 0.000000 0.000000\n0.000000 3.508587 0.000000\n0.000000 0.000000 4.271182\nLi H O\n2 2 2\ndirect\n0.000000 0.000000 -0.000000 Li\n0.500000 0.500000 0.000000 Li\n0.000000 0.500000 0.429187 H\n0.500000 0.000000 0.570812 H\n0.500000 0.000000 0.798671 O\n0.000000 0.500000 0.201329 O\n",
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{
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}
]
}