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{
"id": "jvasp-33330",
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"structure_string": "Si1 H12 C2 N6 F6\n1.0\n5.768193 3.664037 -2.560732\n-5.768193 3.664037 2.560732\n-0.073272 0.000000 5.885570\nSi H C N F\n1 12 2 6 6\ndirect\n0.000000 0.000000 0.000000 Si\n0.547422 0.010915 0.746421 H\n0.989086 0.452579 0.746421 H\n0.452579 0.989086 0.253579 H\n0.010915 0.547422 0.253579 H\n0.305625 0.012619 0.739956 H\n0.987381 0.694376 0.739956 H\n0.694376 0.987381 0.260044 H\n0.012619 0.305625 0.260044 H\n0.307479 0.452579 0.741433 H\n0.547422 0.692522 0.741433 H\n0.692522 0.547422 0.258567 H\n0.452579 0.307479 0.258567 H\n0.722204 0.277797 0.272660 C\n0.277797 0.722204 0.727340 C\n0.382655 0.617346 0.719804 N\n0.617346 0.382654 0.280197 N\n0.383176 0.933027 0.727986 N\n0.066974 0.616825 0.727986 N\n0.616825 0.066973 0.272014 N\n0.933028 0.383176 0.272014 N\n0.179794 0.152795 0.806900 F\n0.847206 0.820207 0.806900 F\n0.820207 0.847206 0.193100 F\n0.152795 0.179794 0.193100 F\n0.851254 0.148747 0.832559 F\n0.148748 0.851253 0.167441 F\n",
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{
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"updated_at": "2022-09-04T14:38:48.506706Z",
"structure_string": "Li4 Fe6 Co2 O16\n1.0\n5.571043 0.000000 0.000000\n-2.785522 4.824664 0.000000\n-0.000000 -0.000000 9.204304\nLi Fe Co O\n4 6 2 16\ndirect\n0.333333 0.666666 0.893238 Li\n0.000000 0.000000 0.996024 Li\n0.000000 0.000000 0.496024 Li\n0.666666 0.333333 0.393238 Li\n0.825930 0.651859 0.712189 Fe\n0.348140 0.174070 0.712189 Fe\n0.825930 0.174070 0.712189 Fe\n0.174070 0.348140 0.212189 Fe\n0.174070 0.825929 0.212189 Fe\n0.651860 0.825929 0.212189 Fe\n0.333333 0.666666 0.487432 Co\n0.666666 0.333333 0.987432 Co\n0.332229 0.166115 0.102764 O\n0.833885 0.667770 0.102764 O\n0.666666 0.333333 0.597236 O\n0.519721 0.039444 0.842747 O\n0.519721 0.480278 0.842747 O\n0.667770 0.833885 0.602763 O\n0.480278 0.519721 0.342747 O\n0.039444 0.519721 0.342747 O\n0.166115 0.332229 0.602763 O\n0.000000 0.000000 0.806607 O\n0.000000 0.000000 0.306607 O\n0.333333 0.666666 0.097236 O\n0.960556 0.480278 0.842747 O\n0.166115 0.833885 0.602763 O\n0.480278 0.960555 0.342747 O\n0.833885 0.166115 0.102764 O\n",
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{
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"structure_string": "Ce4 Y2 Si4\n1.0\n7.551592 0.000000 0.000000\n0.000000 7.551592 0.000000\n0.000000 0.000000 4.337987\nCe Y Si\n4 2 4\ndirect\n0.677980 0.177980 0.500000 Ce\n0.322019 0.822019 0.500000 Ce\n0.177980 0.322019 0.500000 Ce\n0.822019 0.677980 0.500000 Ce\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 -0.000000 Y\n0.116317 0.616317 -0.000000 Si\n0.883683 0.383683 -0.000000 Si\n0.616317 0.883683 -0.000000 Si\n0.383683 0.116317 -0.000000 Si\n",
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"structure_string": "Cd1 Cu2 Sn1 Te4\n1.0\n6.301917 0.000000 -0.000000\n-0.000000 6.301917 0.000000\n-3.150959 -3.150959 6.228555\nCd Cu Sn Te\n1 2 1 4\ndirect\n0.000000 0.000000 0.000000 Cd\n0.750000 0.250000 0.500000 Cu\n0.250000 0.750000 0.500000 Cu\n0.500000 0.500000 0.000000 Sn\n0.891162 0.891162 0.284206 Te\n0.393044 0.393044 0.284206 Te\n0.108838 0.606956 0.715794 Te\n0.606956 0.108838 0.715794 Te\n",
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{
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"created_at": "2022-09-04T14:37:20.265364Z",
"updated_at": "2022-09-04T14:37:20.265384Z",
"structure_string": "Tm6 Re1 O12\n1.0\n6.287233 0.000259 -0.974691\n-1.137477 6.183481 -0.974692\n0.000215 0.000259 6.362337\nTm Re O\n6 1 12\ndirect\n0.316817 0.610601 0.143700 Tm\n0.143700 0.316817 0.610602 Tm\n0.389399 0.856300 0.683183 Tm\n0.683183 0.389399 0.856301 Tm\n0.856300 0.683183 0.389399 Tm\n0.610601 0.143700 0.316818 Tm\n0.000000 0.000000 0.000000 Re\n0.923026 0.699920 0.037059 O\n0.699920 0.037059 0.923028 O\n0.588967 0.430066 0.177279 O\n0.300079 0.962941 0.076973 O\n0.037059 0.923027 0.699921 O\n0.822721 0.411032 0.569934 O\n0.569933 0.822721 0.411033 O\n0.411032 0.569934 0.822722 O\n0.177278 0.588968 0.430067 O\n0.430066 0.177279 0.588968 O\n0.076973 0.300080 0.962942 O\n0.962941 0.076973 0.300080 O\n",
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{
"id": "jvasp-19360",
"created_at": "2022-09-04T14:38:33.881987Z",
"updated_at": "2022-09-04T14:38:33.882014Z",
"structure_string": "Ca4 Ti2 Sb2 O12\n1.0\n0.000000 5.486742 -0.002164\n7.922747 0.000000 0.000000\n0.000000 -0.005833 -5.690123\nCa Ti Sb O\n4 2 2 12\ndirect\n0.484322 0.750000 0.436662 Ca\n0.515678 0.250000 0.563337 Ca\n0.012297 0.750000 0.950884 Ca\n0.987703 0.250000 0.049115 Ca\n0.500000 0.500000 -0.000000 Ti\n0.500000 0.000000 -0.000000 Ti\n0.000000 0.500000 0.500000 Sb\n0.000000 0.000000 0.500000 Sb\n0.313167 0.552384 0.708541 O\n0.594387 0.750000 0.032312 O\n0.686833 0.052384 0.291458 O\n0.099937 0.250000 0.466210 O\n0.206657 0.947493 0.191613 O\n0.793343 0.052508 0.808386 O\n0.206657 0.552508 0.191613 O\n0.313167 0.947616 0.708541 O\n0.900063 0.750000 0.533789 O\n0.686833 0.447616 0.291458 O\n0.793343 0.447492 0.808386 O\n0.405613 0.250000 0.967687 O\n",
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{
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"created_at": "2022-09-04T14:35:59.639564Z",
"updated_at": "2022-09-04T14:35:59.639592Z",
"structure_string": "Li6 Si3 Cu3 O12\n1.0\n-5.002985 -0.000171 0.000014\n2.501366 4.332807 -0.000332\n-0.000048 0.000239 -11.410862\nLi Si Cu O\n6 3 3 12\ndirect\n0.546285 0.663235 0.586355 Li\n0.336770 0.883060 0.919706 Li\n0.116959 0.453721 0.253022 Li\n0.663230 0.546289 0.080296 Li\n0.883039 0.336759 0.746973 Li\n0.453714 0.116946 0.413640 Li\n0.816404 0.816401 0.333332 Si\n0.183598 -0.000006 0.666667 Si\n-0.000001 0.183592 -0.000003 Si\n0.999996 0.456430 0.499997 Cu\n0.456476 0.000032 0.166681 Cu\n0.543528 0.543564 0.833317 Cu\n0.292956 0.140278 0.040410 O\n0.707047 0.847328 0.959587 O\n0.311047 0.877355 0.557214 O\n0.566320 0.688951 0.223877 O\n0.152696 0.859723 0.292934 O\n0.847300 0.707025 0.707067 O\n0.140279 0.292960 0.626259 O\n0.122651 0.433712 0.890543 O\n0.877361 0.311057 0.109446 O\n0.688942 0.566292 0.442788 O\n0.859718 0.152673 0.373734 O\n0.433679 0.122637 0.776123 O\n",
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{
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"structure_string": "Li8 Mn6 O14\n1.0\n2.930268 -0.006180 0.283286\n0.380612 5.893744 0.691173\n0.002789 0.010439 14.320951\nLi Mn O\n8 6 14\ndirect\n0.909412 0.199426 0.629814 Li\n0.500000 0.500000 0.500000 Li\n0.090588 0.800574 0.370186 Li\n0.360297 0.927560 0.782317 Li\n0.791862 0.643623 0.927351 Li\n0.208138 0.356376 0.072649 Li\n0.639703 0.072439 0.217683 Li\n0.500001 0.000000 0.500000 Li\n0.792986 0.143552 0.927226 Mn\n0.207015 0.856448 0.072774 Mn\n0.382409 0.435274 0.782935 Mn\n0.049351 0.274253 0.365027 Mn\n0.950649 0.725746 0.634973 Mn\n0.617592 0.564726 0.217065 Mn\n0.335612 0.391489 0.920864 O\n0.911198 0.672378 0.778421 O\n0.526348 0.507564 0.353200 O\n-0.002991 0.254336 0.490850 O\n0.423116 0.937735 0.641606 O\n0.088802 0.327621 0.221579 O\n0.664389 0.608511 0.079136 O\n0.840886 0.185378 0.789643 O\n0.576884 0.062265 0.358394 O\n0.002991 0.745664 0.509150 O\n0.473653 0.492435 0.646800 O\n0.751830 0.106289 0.064891 O\n0.248171 0.893711 0.935109 O\n0.159114 0.814621 0.210357 O\n",
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"structure_string": "Cu4 Sn2 S6\n1.0\n6.321495 -0.000000 2.248536\n3.160747 5.808882 1.124268\n0.015624 -0.000000 6.740684\nCu Sn S\n4 2 6\ndirect\n0.441360 0.162326 0.987744 Cu\n0.264073 0.494317 0.486787 Cu\n0.603686 0.837674 0.487745 Cu\n0.758390 0.505683 0.986787 Cu\n0.908662 0.185695 0.503856 Sn\n0.094358 0.814304 0.003856 Sn\n0.243402 0.816770 0.603006 S\n0.060171 0.183230 0.103006 S\n0.407854 0.476598 0.123550 S\n0.884452 0.523402 0.623550 S\n0.698757 0.830686 0.124056 S\n0.529444 0.169313 0.624055 S\n",
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{
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"created_at": "2022-09-04T14:36:05.714844Z",
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"structure_string": "K1 Sr1 Mg6\n1.0\n7.179241 0.231739 0.000000\n-3.388928 6.333274 0.000000\n0.000000 0.000000 5.347026\nK Sr Mg\n1 1 6\ndirect\n0.099959 0.400041 0.250000 K\n0.402042 0.097958 0.750001 Sr\n0.042535 0.877463 0.250000 Mg\n0.622537 0.457464 0.250000 Mg\n0.589261 0.910738 0.250000 Mg\n0.465170 0.625800 0.750001 Mg\n0.874200 0.034830 0.750001 Mg\n0.904296 0.595703 0.750001 Mg\n",
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{
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"created_at": "2022-09-04T14:35:53.983250Z",
"updated_at": "2022-09-04T14:35:53.983279Z",
"structure_string": "Sr4 Ru4 O12\n1.0\n5.592091 0.000000 0.000000\n0.000000 5.592091 -0.000000\n0.000000 0.000000 7.908598\nSr Ru O\n4 4 12\ndirect\n0.000000 0.000000 0.250000 Sr\n0.500000 0.500000 0.250000 Sr\n0.500000 0.500000 0.750000 Sr\n0.000000 0.000000 0.750000 Sr\n0.000000 0.500000 0.500000 Ru\n0.500000 0.000000 0.500000 Ru\n0.000000 0.500000 0.000000 Ru\n0.500000 0.000000 0.000000 Ru\n0.250000 0.750000 0.500000 O\n0.750000 0.750000 0.000000 O\n0.500000 0.000000 0.250000 O\n0.250000 0.750000 0.000000 O\n0.750000 0.750000 0.500000 O\n0.250000 0.250000 0.000000 O\n0.750000 0.250000 0.500000 O\n0.500000 0.000000 0.750000 O\n0.000000 0.500000 0.750000 O\n0.000000 0.500000 0.250000 O\n0.750000 0.250000 0.000000 O\n0.250000 0.250000 0.500000 O\n",
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]
}