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{
"id": "jvasp-101915",
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"structure_string": "Zn1 H12 C8 O4\n1.0\n3.843271 0.171676 0.255119\n1.646673 4.414282 0.172452\n-0.411211 0.202999 12.132880\nZn H C O\n1 12 8 4\ndirect\n0.560341 0.947015 0.187997 Zn\n0.385813 0.660777 0.493966 H\n0.697477 0.696744 0.920672 H\n0.207482 0.821219 0.932570 H\n0.557602 0.692317 0.702785 H\n0.080463 0.769199 0.735164 H\n0.637121 0.189124 0.622337 H\n0.921398 0.714730 0.535443 H\n0.753564 0.215773 0.828819 H\n0.277308 0.290127 0.857794 H\n0.494217 0.138072 0.421993 H\n0.048265 0.173323 0.469995 H\n0.171813 0.246497 0.662070 H\n0.501638 0.460055 0.044956 C\n0.469594 0.610699 0.930871 C\n0.472453 0.404619 0.836698 C\n0.361701 0.579769 0.726118 C\n0.208784 0.537272 0.524024 C\n0.207535 0.310783 0.437996 C\n0.035936 0.442839 0.327569 C\n0.351662 0.370543 0.634399 C\n0.402186 0.629184 0.128402 O\n0.080925 0.260083 0.249293 O\n0.838164 0.732706 0.319561 O\n0.616926 0.165768 0.051615 O\n",
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{
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"structure_string": "K1 Na1 Mg2 F6\n1.0\n4.847231 -0.000000 2.798550\n1.615744 4.570013 2.798550\n-0.000000 -0.000000 5.597100\nK Na Mg F\n1 1 2 6\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 Na\n0.250000 0.250000 0.250000 Mg\n0.749999 0.749999 0.750000 Mg\n0.500000 0.500000 0.000000 F\n0.000000 0.000000 0.500000 F\n0.500000 0.000000 0.500000 F\n-0.000000 0.500000 0.000000 F\n-0.000000 0.500000 0.500000 F\n0.500000 0.000000 0.000000 F\n",
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{
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"updated_at": "2022-09-04T14:36:54.659600Z",
"structure_string": "K2 Cu1 Mo1 Br6\n1.0\n6.412589 -0.000000 3.702310\n2.137530 6.045846 3.702310\n-0.000000 -0.000000 7.404619\nK Cu Mo Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Mo\n0.751207 0.248793 0.248793 Br\n0.248793 0.248793 0.751207 Br\n0.248793 0.751207 0.751207 Br\n0.248793 0.751207 0.248793 Br\n0.751207 0.248793 0.751207 Br\n0.751207 0.751207 0.248793 Br\n",
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{
"id": "jvasp-101869",
"created_at": "2022-09-04T14:36:48.127595Z",
"updated_at": "2022-09-04T14:36:48.127619Z",
"structure_string": "Sn1 H18 C10 O4\n1.0\n5.153430 -0.027427 -0.137901\n-0.065008 6.363885 -1.189401\n-0.155731 0.197830 9.384912\nSn H C O\n1 18 10 4\ndirect\n0.723986 0.328315 0.679467 Sn\n0.144310 0.934302 0.251713 H\n0.032457 0.204392 0.463505 H\n0.804870 0.483338 0.959771 H\n0.923850 0.671707 0.853646 H\n0.108033 0.440079 0.873117 H\n0.099340 0.709010 0.118647 H\n0.816430 0.989632 0.481197 H\n0.274178 0.491784 0.306424 H\n0.702933 0.202380 0.392563 H\n0.113229 0.792659 0.557142 H\n0.376771 0.903021 0.476976 H\n0.453525 0.741473 0.887973 H\n0.227958 0.943908 0.934503 H\n0.513086 0.107074 0.140866 H\n0.779303 0.956230 0.075286 H\n0.622895 0.819420 0.281474 H\n0.560154 0.630340 0.126604 H\n0.968129 0.603177 0.340926 H\n0.502450 0.786588 0.180590 C\n0.568202 0.950249 0.086386 C\n0.435232 0.908097 0.933977 C\n0.276292 0.756355 0.486881 C\n0.174545 0.642137 0.335044 C\n0.565883 0.034806 0.835215 C\n0.461619 0.622464 0.556794 C\n0.831950 0.157052 0.477646 C\n0.914644 0.506892 0.866230 C\n0.216328 0.774917 0.216441 C\n0.364954 0.476717 0.620996 O\n0.423709 0.161469 0.771376 O\n0.806398 0.026712 0.816463 O\n0.704869 0.639801 0.551414 O\n",
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{
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"structure_string": "Na2 Al1 Cu1 F6\n1.0\n4.861213 -0.000000 2.806623\n1.620404 4.583196 2.806623\n-0.000000 -0.000000 5.613245\nNa Al Cu F\n2 1 1 6\ndirect\n0.749999 0.750001 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Al\n0.499999 0.500000 0.500000 Cu\n0.771911 0.228088 0.228088 F\n0.228087 0.228088 0.771913 F\n0.228087 0.771913 0.771913 F\n0.228087 0.771913 0.228088 F\n0.771911 0.228088 0.771913 F\n0.771911 0.771913 0.228088 F\n",
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{
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"updated_at": "2022-09-04T14:37:03.007420Z",
"structure_string": "Li4 Ti4 Co2 O12\n1.0\n5.161769 -0.045473 0.000000\n2.528481 4.394316 -0.000000\n0.000000 -0.000000 10.277608\nLi Ti Co O\n4 4 2 12\ndirect\n0.500000 0.169323 0.750000 Li\n0.500000 0.330678 0.250000 Li\n0.499999 0.669324 0.750000 Li\n0.499999 0.830678 0.250000 Li\n0.323729 0.338136 0.000000 Ti\n0.323729 0.838136 0.500000 Ti\n0.676270 0.161865 0.500000 Ti\n0.676270 0.661866 0.000000 Ti\n0.000000 0.000000 0.000000 Co\n-0.000000 0.500000 0.500000 Co\n0.632275 0.363145 0.890286 O\n0.632275 0.004580 0.109714 O\n0.367724 0.636856 0.109714 O\n0.367724 0.495421 0.609714 O\n0.367725 0.136856 0.390286 O\n-0.000000 0.158628 0.598746 O\n0.367724 0.995422 0.890286 O\n-0.000000 0.658628 0.901255 O\n-0.000000 0.341373 0.098745 O\n0.632275 0.504580 0.390286 O\n-0.000001 0.841373 0.401255 O\n0.632274 0.863146 0.609714 O\n",
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{
"id": "jvasp-48540",
"created_at": "2022-09-04T14:36:47.035900Z",
"updated_at": "2022-09-04T14:36:47.035917Z",
"structure_string": "Li2 Co4 O2 F6\n1.0\n0.000000 4.176676 4.176676\n4.256615 0.021204 4.155470\n4.374775 4.280300 -0.103625\nLi Co O F\n2 4 2 6\ndirect\n0.625001 0.125000 0.624999 Li\n0.625000 0.625001 0.125000 Li\n0.985832 0.962394 0.065942 Co\n0.264168 0.287608 0.184058 Co\n0.125000 0.625001 0.624999 Co\n0.625001 0.625001 0.624999 Co\n0.386425 0.410327 0.816825 O\n0.863576 0.839675 0.433174 O\n0.388540 0.377956 0.371916 F\n0.861590 0.377956 0.371916 F\n0.391327 0.871794 0.345554 F\n0.858674 0.378208 0.904445 F\n0.388411 0.872046 0.878083 F\n0.861461 0.872046 0.878083 F\n",
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{
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"created_at": "2022-09-04T14:36:54.657072Z",
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"structure_string": "Ti4 Al2 C1 N1\n1.0\n3.036361 0.000000 0.000000\n-1.518180 2.629565 0.000000\n0.000000 -0.000000 13.606276\nTi Al C N\n4 2 1 1\ndirect\n0.666667 0.333334 0.415865 Ti\n0.333334 0.666668 0.584136 Ti\n0.333334 0.666668 0.914687 Ti\n0.666667 0.333334 0.085313 Ti\n0.666667 0.333334 0.748139 Al\n0.333334 0.666668 0.251861 Al\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 N\n",
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{
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"structure_string": "Mg2 H12 N4 Cl4\n1.0\n-4.060868 4.048053 3.746728\n4.060868 -4.048053 3.746728\n4.060868 4.048053 -3.746728\nMg H N Cl\n2 12 4 4\ndirect\n0.750000 0.745123 0.995122 Mg\n0.250000 0.254878 0.004878 Mg\n0.670116 0.437927 0.390543 H\n0.952617 0.562074 0.232189 H\n0.170117 0.779573 0.232190 H\n0.329884 0.562074 0.609457 H\n0.047383 0.437927 0.767811 H\n0.452617 0.220428 0.390543 H\n0.547383 0.779573 0.609457 H\n0.073243 0.847118 0.420360 H\n0.573242 0.152883 0.226124 H\n0.926757 0.152883 0.579640 H\n0.426758 0.847118 0.773875 H\n0.829883 0.220428 0.767810 H\n0.483880 0.734005 0.717884 N\n0.983880 0.265997 0.749875 N\n0.516119 0.265997 0.282116 N\n0.016120 0.734005 0.250125 N\n0.991615 0.207698 0.216082 Cl\n0.491615 0.275533 0.783917 Cl\n0.508385 0.724467 0.216083 Cl\n0.008385 0.792302 0.783917 Cl\n",
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{
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"structure_string": "B4 H32 C4 N4\n1.0\n4.900170 0.000000 0.000000\n-0.000000 6.449533 0.000000\n0.000000 0.000000 10.741604\nB H C N\n4 32 4 4\ndirect\n0.816784 0.250000 0.470598 B\n0.683216 0.250000 0.970597 B\n0.183216 0.750000 0.529402 B\n0.316784 0.750000 0.029402 B\n0.120859 0.250000 0.762345 H\n0.316039 0.750000 0.915446 H\n0.226059 0.121982 0.461202 H\n0.794120 0.404723 0.927823 H\n0.294120 0.904723 0.572176 H\n0.205880 0.904723 0.072177 H\n0.816039 0.250000 0.584554 H\n0.205880 0.595277 0.072177 H\n0.705880 0.095277 0.427823 H\n0.794120 0.095277 0.927823 H\n0.437392 0.111718 0.748585 H\n0.937392 0.888282 0.751414 H\n0.726059 0.621982 0.038798 H\n0.726059 0.878017 0.038798 H\n0.273941 0.121982 0.961201 H\n0.273941 0.378017 0.961201 H\n0.773941 0.621982 0.538798 H\n0.062608 0.388282 0.248586 H\n0.294120 0.595277 0.572176 H\n0.379141 0.250000 0.262345 H\n0.226059 0.378017 0.461202 H\n0.562608 0.611717 0.251414 H\n0.937392 0.611717 0.751414 H\n0.183961 0.750000 0.415446 H\n0.620859 0.750000 0.737654 H\n0.562608 0.888282 0.251414 H\n0.879141 0.750000 0.237655 H\n0.773941 0.878017 0.538798 H\n0.437392 0.388282 0.748585 H\n0.705880 0.404723 0.427823 H\n0.683961 0.250000 0.084554 H\n0.062608 0.111718 0.248586 H\n0.838356 0.750000 0.712818 C\n0.661644 0.750000 0.212818 C\n0.338356 0.250000 0.787182 C\n0.161644 0.250000 0.287182 C\n0.627127 0.750000 0.075438 N\n0.127127 0.250000 0.424562 N\n0.872873 0.750000 0.575438 N\n0.372873 0.250000 0.924562 N\n",
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},
{
"id": "jvasp-101916",
"created_at": "2022-09-04T14:36:48.165639Z",
"updated_at": "2022-09-04T14:36:48.165649Z",
"structure_string": "Zn1 H12 C8 O4\n1.0\n3.847093 0.126378 0.202827\n1.701621 4.384591 0.131060\n-0.367099 0.207818 12.147636\nZn H C O\n1 12 8 4\ndirect\n0.581274 0.903612 0.181545 Zn\n0.409210 0.615036 0.488582 H\n0.725327 0.646727 0.916541 H\n0.234992 0.777154 0.926135 H\n0.585165 0.644503 0.698049 H\n0.107638 0.725048 0.728827 H\n0.659967 0.143034 0.616118 H\n0.945370 0.671038 0.529240 H\n0.775802 0.168188 0.823355 H\n0.298934 0.246343 0.850521 H\n0.513396 0.092268 0.415941 H\n0.067074 0.130648 0.462684 H\n0.195137 0.202139 0.654869 H\n0.521450 0.414913 0.039076 C\n0.494485 0.564898 0.925301 C\n0.496124 0.358284 0.830660 C\n0.387400 0.534383 0.720251 C\n0.231591 0.492990 0.517893 C\n0.228013 0.265973 0.431507 C\n0.056338 0.399079 0.320951 C\n0.375515 0.324907 0.628030 C\n0.418345 0.584980 0.122580 O\n0.099544 0.216341 0.242176 O\n0.859432 0.690352 0.313454 O\n0.636312 0.119574 0.045211 O\n",
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{
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"created_at": "2022-09-04T14:36:48.182655Z",
"updated_at": "2022-09-04T14:36:48.182674Z",
"structure_string": "Rb2 Tl1 Sb1 I6\n1.0\n7.644665 -0.000000 4.413649\n2.548222 7.207459 4.413649\n-0.000000 -0.000000 8.827298\nRb Tl Sb I\n2 1 1 6\ndirect\n0.749999 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Sb\n0.758566 0.241434 0.241434 I\n0.241433 0.241434 0.758567 I\n0.241433 0.758567 0.758567 I\n0.241433 0.758567 0.241434 I\n0.758566 0.241434 0.758567 I\n0.758566 0.758567 0.241434 I\n",
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],
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}
]
}