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{
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{
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"structure_string": "Nd2 Tm6 S12\n1.0\n3.936098 0.000000 0.000000\n-0.000000 10.368012 3.560549\n-0.000000 0.005262 11.240725\nNd Tm S\n2 6 12\ndirect\n0.250000 0.950269 0.696062 Nd\n0.750000 0.049731 0.303938 Nd\n0.250000 0.558142 0.833126 Tm\n0.750000 0.441857 0.166874 Tm\n0.250000 0.320178 0.501310 Tm\n0.750000 0.679821 0.498690 Tm\n0.250000 0.838730 0.087071 Tm\n0.750000 0.161269 0.912928 Tm\n0.750000 0.119346 0.535974 S\n0.250000 0.880653 0.464026 S\n0.750000 0.734163 0.728503 S\n0.250000 0.265837 0.271497 S\n0.750000 0.393360 0.942395 S\n0.750000 0.479335 0.387269 S\n0.750000 0.917601 0.906853 S\n0.250000 0.082399 0.093147 S\n0.250000 0.198288 0.750861 S\n0.250000 0.520664 0.612731 S\n0.250000 0.606640 0.057605 S\n0.750000 0.801712 0.249139 S\n",
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{
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"structure_string": "Sm4 Ge10 Ir6\n1.0\n-5.138206 5.947514 3.058796\n5.138206 -5.947514 3.058796\n5.138206 5.947514 -3.058796\nSm Ge Ir\n4 10 6\ndirect\n0.633503 0.227562 0.861066 Sm\n0.366496 0.772438 0.138933 Sm\n0.866496 0.727563 0.594057 Sm\n0.133505 0.272438 0.405943 Sm\n0.401598 0.338761 0.740359 Ge\n0.598403 0.661240 0.259642 Ge\n0.098402 0.838762 0.937164 Ge\n0.901598 0.161239 0.062837 Ge\n0.474371 0.250000 0.224370 Ge\n0.525629 0.750001 0.775630 Ge\n0.974370 0.750000 0.224370 Ge\n0.250000 0.750001 0.500000 Ge\n0.749999 0.250000 0.500000 Ge\n0.025629 0.250001 0.775630 Ge\n0.858261 0.389725 0.247987 Ir\n0.641737 0.889725 0.531463 Ir\n0.358262 0.110275 0.468536 Ir\n0.750000 0.750000 -0.000000 Ir\n0.250000 0.250000 0.000000 Ir\n0.141738 0.610275 0.752013 Ir\n",
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{
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"created_at": "2022-09-04T14:38:47.569417Z",
"updated_at": "2022-09-04T14:38:47.569440Z",
"structure_string": "Tb4 Sc4 S12\n1.0\n6.371537 -0.000000 0.000000\n0.000000 7.038723 0.000000\n-0.000000 -0.000000 9.489407\nTb Sc S\n4 4 12\ndirect\n0.540756 0.397520 0.750000 Tb\n0.459244 0.602479 0.250000 Tb\n0.040756 0.102479 0.250000 Tb\n0.959244 0.897520 0.750000 Tb\n-0.000000 0.500000 -0.000000 Sc\n-0.000000 0.500000 0.500000 Sc\n0.500000 0.000000 0.500000 Sc\n0.500000 0.000000 -0.000000 Sc\n0.143160 0.545268 0.750000 S\n0.856840 0.454731 0.250000 S\n0.673658 0.683824 0.930875 S\n0.326343 0.316175 0.430875 S\n0.173658 0.816175 0.430875 S\n0.173658 0.816175 0.069125 S\n0.673658 0.683824 0.569126 S\n0.326343 0.316175 0.069125 S\n0.356840 0.045268 0.750000 S\n0.826343 0.183825 0.569126 S\n0.826343 0.183825 0.930875 S\n0.643161 0.954731 0.250000 S\n",
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{
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"created_at": "2022-09-04T14:38:31.867284Z",
"updated_at": "2022-09-04T14:38:31.867313Z",
"structure_string": "Zn4 Ag2 Sb2 O12\n1.0\n0.000000 5.458489 -0.020605\n7.723585 0.000000 0.000000\n0.000000 -0.707754 -5.497285\nZn Ag Sb O\n4 2 2 12\ndirect\n0.542906 0.250000 0.511712 Zn\n0.457095 0.750000 0.488290 Zn\n0.016042 0.250000 0.058805 Zn\n0.983959 0.750000 0.941196 Zn\n0.000000 0.500000 0.500000 Ag\n0.000000 0.000000 0.500000 Ag\n0.500000 0.500000 0.000000 Sb\n0.500000 0.000000 0.000000 Sb\n0.343241 0.437030 0.659773 O\n0.891547 0.250000 0.399327 O\n0.656760 0.937031 0.340228 O\n0.603660 0.750000 0.874101 O\n0.800489 0.074110 0.878689 O\n0.199512 0.925890 0.121313 O\n0.800489 0.425890 0.878689 O\n0.343241 0.062970 0.659773 O\n0.396342 0.250000 0.125901 O\n0.656760 0.562970 0.340228 O\n0.199512 0.574111 0.121313 O\n0.108454 0.750000 0.600675 O\n",
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{
"id": "jvasp-118983",
"created_at": "2022-09-04T14:38:31.528214Z",
"updated_at": "2022-09-04T14:38:31.528243Z",
"structure_string": "Li6 Mn2 Co2 O10\n1.0\n2.841393 0.028179 0.117835\n1.318353 6.096087 1.110567\n-0.406356 0.083184 9.592295\nLi Mn Co O\n6 2 2 10\ndirect\n0.684926 0.130309 0.586699 Li\n0.910345 0.678917 0.220342 Li\n0.315070 0.869691 0.413301 Li\n0.499999 0.500000 0.000000 Li\n0.089651 0.321083 0.779659 Li\n-0.000001 0.500000 0.500000 Li\n0.798858 0.902135 0.895886 Mn\n0.201138 0.097865 0.104114 Mn\n0.600820 0.298652 0.305035 Co\n0.399176 0.701348 0.694965 Co\n0.938349 0.623655 0.842311 O\n0.254083 0.991015 0.763757 O\n0.460289 0.579626 0.346109 O\n0.850858 0.797410 0.570792 O\n0.061647 0.376345 0.157689 O\n0.658336 0.182744 0.964430 O\n0.149138 0.202590 0.429208 O\n0.341660 0.817256 0.035570 O\n0.745914 0.008985 0.236243 O\n0.539708 0.420374 0.653891 O\n",
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{
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"created_at": "2022-09-04T14:38:31.924904Z",
"updated_at": "2022-09-04T14:38:31.924934Z",
"structure_string": "Ag4 I4 O12\n1.0\n6.090177 -0.000000 0.000000\n0.000000 6.472005 0.000000\n0.000000 0.000000 7.807547\nAg I O\n4 4 12\ndirect\n0.000000 0.500000 0.000000 Ag\n0.000000 0.500000 0.500000 Ag\n0.500000 0.000000 0.000000 Ag\n0.500000 0.000000 0.500000 Ag\n0.008581 0.007542 0.250000 I\n0.491419 0.507541 0.250000 I\n0.508581 0.492458 0.750000 I\n0.991420 0.992457 0.750000 I\n0.772690 0.608289 0.250000 O\n0.727310 0.108289 0.250000 O\n0.631688 0.335405 0.574956 O\n0.631688 0.335405 0.925044 O\n0.368312 0.664594 0.425044 O\n0.131688 0.164594 0.425044 O\n0.272690 0.891710 0.750000 O\n0.227310 0.391710 0.750000 O\n0.868313 0.835405 0.574956 O\n0.131688 0.164594 0.074956 O\n0.368312 0.664594 0.074956 O\n0.868313 0.835405 0.925044 O\n",
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},
{
"id": "jvasp-119151",
"created_at": "2022-09-04T14:38:35.649070Z",
"updated_at": "2022-09-04T14:38:35.649087Z",
"structure_string": "Sb8 Se6 S6\n1.0\n3.968504 -0.000000 0.000000\n0.000000 11.394474 0.000000\n0.000000 -0.000000 11.661660\nSb Se S\n8 6 6\ndirect\n0.500000 0.205663 0.651850 Sb\n0.500000 0.794336 0.151850 Sb\n-0.000000 0.291226 0.346843 Sb\n-0.000000 0.708773 0.846843 Sb\n-0.000000 0.920498 0.529586 Sb\n-0.000000 0.079502 0.029586 Sb\n0.500000 0.589544 0.475917 Sb\n0.500000 0.410456 0.975917 Sb\n0.500000 0.884458 0.942490 Se\n0.500000 0.115542 0.442490 Se\n-0.000000 0.619716 0.057096 Se\n0.500000 0.546855 0.781908 Se\n0.500000 0.453144 0.281908 Se\n-0.000000 0.380284 0.557096 Se\n-0.000000 0.053669 0.709760 S\n0.500000 0.807809 0.625740 S\n0.500000 0.192190 0.125740 S\n-0.000000 0.699128 0.378811 S\n-0.000000 0.300872 0.878811 S\n-0.000000 0.946330 0.209760 S\n",
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{
"id": "jvasp-116979",
"created_at": "2022-09-04T14:38:45.753248Z",
"updated_at": "2022-09-04T14:38:45.753271Z",
"structure_string": "Na6 Dy2 Br12\n1.0\n7.690819 0.000000 0.000000\n-0.000000 5.899496 3.937981\n0.000000 -0.165637 12.743732\nNa Dy Br\n6 2 12\ndirect\n0.500000 0.500000 -0.000000 Na\n0.000000 0.500000 0.500000 Na\n0.096943 0.705092 0.755990 Na\n0.903057 0.294908 0.244010 Na\n0.596943 0.294907 0.744010 Na\n0.403057 0.705093 0.255990 Na\n0.500000 -0.000000 0.500000 Dy\n0.000000 0.000000 0.000000 Dy\n0.678080 0.394114 0.428497 Br\n0.321920 0.605886 0.571503 Br\n0.057311 0.908208 0.241910 Br\n0.942689 0.091792 0.758090 Br\n0.557311 0.091792 0.258090 Br\n0.187910 0.241615 0.423060 Br\n0.687910 0.758385 0.076940 Br\n0.312090 0.241615 0.923060 Br\n0.821920 0.394114 0.928497 Br\n0.812090 0.758385 0.576940 Br\n0.442689 0.908208 0.741910 Br\n0.178080 0.605886 0.071503 Br\n",
"nsites": 20,
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},
{
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"created_at": "2022-09-04T14:38:31.836547Z",
"updated_at": "2022-09-04T14:38:31.836575Z",
"structure_string": "Li4 Mn4 F12\n1.0\n4.923745 -0.000000 0.000000\n0.000000 5.339830 0.000000\n-0.000000 -0.000000 8.784999\nLi Mn F\n4 4 12\ndirect\n-0.000000 0.250000 0.201786 Li\n-0.000000 0.750000 0.798214 Li\n0.500000 0.750000 0.701786 Li\n0.500000 0.250000 0.298214 Li\n-0.000000 0.750000 0.402996 Mn\n-0.000000 0.250000 0.597004 Mn\n0.500000 0.750000 0.097004 Mn\n0.500000 0.250000 0.902996 Mn\n0.250000 0.046949 0.750000 F\n0.250000 0.546949 0.250000 F\n0.279625 0.588141 0.908410 F\n0.279625 0.088141 0.091590 F\n0.720376 0.911859 0.908410 F\n0.779626 0.411859 0.408410 F\n0.750001 0.953051 0.250000 F\n0.750001 0.453051 0.750000 F\n0.220375 0.088141 0.408410 F\n0.779626 0.911859 0.591590 F\n0.720376 0.411859 0.091590 F\n0.220375 0.588141 0.591590 F\n",
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{
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"created_at": "2022-09-04T14:38:45.484317Z",
"updated_at": "2022-09-04T14:38:45.484346Z",
"structure_string": "Ba4 Th4 O12\n1.0\n6.377952 -0.000000 0.000000\n0.000000 6.423227 0.000000\n0.000000 -0.000000 9.028432\nBa Th O\n4 4 12\ndirect\n0.509407 0.531333 0.250000 Ba\n0.990593 0.031332 0.250000 Ba\n0.490593 0.468668 0.750000 Ba\n0.009407 0.968668 0.750000 Ba\n-0.000000 0.500000 -0.000000 Th\n0.500000 0.000000 0.500000 Th\n-0.000000 0.500000 0.500000 Th\n0.500000 0.000000 -0.000000 Th\n0.287951 0.712043 0.549327 O\n0.212049 0.212043 0.950672 O\n0.287951 0.712043 0.950672 O\n0.212049 0.212043 0.549327 O\n0.712049 0.287958 0.450672 O\n0.091279 0.471719 0.250000 O\n0.908721 0.528281 0.750000 O\n0.591279 0.028281 0.750000 O\n0.787951 0.787958 0.450672 O\n0.408721 0.971720 0.250000 O\n0.787951 0.787958 0.049328 O\n0.712049 0.287958 0.049328 O\n",
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{
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"created_at": "2022-09-04T14:38:31.829520Z",
"updated_at": "2022-09-04T14:38:31.829549Z",
"structure_string": "Nb2 Tl5 S4 Br9\n1.0\n6.721929 0.000117 -2.565668\n-1.933770 8.579160 -5.066027\n0.029111 0.004725 10.163266\nNb Tl S Br\n2 5 4 9\ndirect\n0.409410 0.909394 0.818788 Nb\n0.590590 0.090606 0.181212 Nb\n0.163263 0.880386 0.326525 Tl\n0.500000 0.500000 -0.000000 Tl\n0.836736 0.553859 0.673474 Tl\n0.836737 0.119614 0.673474 Tl\n0.163264 0.446141 0.326526 Tl\n0.750183 0.900103 0.000005 S\n0.249817 0.099897 0.999994 S\n0.750182 0.099903 0.000006 S\n0.249818 0.900096 0.999994 S\n-0.000000 0.500000 -0.000000 Br\n0.535416 0.784629 0.569258 Br\n0.464584 0.215371 0.430742 Br\n0.364647 0.130495 0.729259 Br\n0.635354 0.401236 0.270741 Br\n0.033872 0.784624 0.569248 Br\n0.966128 0.215376 0.430752 Br\n0.364646 0.598764 0.729259 Br\n0.635353 0.869504 0.270741 Br\n",
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]
}