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{
"id": "jvasp-11178",
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"structure_string": "Lu4 Mg2 S8\n1.0\n6.700728 -0.000000 3.868667\n2.233576 6.317507 3.868667\n-0.000000 -0.000000 7.737334\nLu Mg S\n4 2 8\ndirect\n0.500000 0.500000 0.500000 Lu\n0.500000 0.000000 0.500000 Lu\n0.000000 0.500000 0.500000 Lu\n0.500000 0.500000 0.000000 Lu\n0.875001 0.875000 0.875000 Mg\n0.125000 0.125000 0.125000 Mg\n0.255677 0.255677 0.732971 S\n0.744324 0.744324 0.744323 S\n0.744324 0.744324 0.267028 S\n0.255677 0.732972 0.255676 S\n0.255677 0.255677 0.255676 S\n0.267029 0.744324 0.744323 S\n0.744324 0.267029 0.744323 S\n0.732972 0.255677 0.255676 S\n",
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{
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"structure_string": "Ca2 H8 Se4 O14\n1.0\n6.723858 0.011484 -0.005573\n0.204415 6.953887 0.012474\n0.120087 2.325319 7.009852\nCa H Se O\n2 8 4 14\ndirect\n0.120561 0.771992 0.925098 Ca\n0.879441 0.228008 0.074901 Ca\n0.531278 0.761855 0.725691 H\n0.468724 0.238146 0.274309 H\n0.010890 0.539381 0.658865 H\n0.989111 0.460619 0.341135 H\n0.706490 0.790844 0.478039 H\n0.293511 0.209156 0.521961 H\n0.668628 0.567405 0.611310 H\n0.331373 0.432595 0.388690 H\n0.141104 0.819884 0.401396 Se\n0.858898 0.180116 0.598604 Se\n0.649571 0.748435 0.035710 Se\n0.350430 0.251565 0.964289 Se\n0.600866 0.702725 0.556800 O\n0.789700 0.959175 0.954696 O\n0.210302 0.040825 0.045303 O\n0.807634 0.585231 0.975430 O\n0.192367 0.414769 0.024570 O\n0.468794 0.794757 0.845368 O\n0.531207 0.205243 0.154631 O\n0.094451 0.080321 0.648509 O\n0.905550 0.919679 0.351490 O\n0.151173 0.639216 0.286014 O\n0.848829 0.360784 0.713986 O\n0.110219 0.651589 0.645413 O\n0.889782 0.348412 0.354586 O\n0.399136 0.297275 0.443200 O\n",
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{
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"created_at": "2022-09-04T14:37:43.846893Z",
"updated_at": "2022-09-04T14:37:43.846927Z",
"structure_string": "Te2 Mo2 W2 Se2 S4\n1.0\n3.315699 0.000000 0.000000\n-1.657849 2.871499 0.000033\n0.000001 0.000385 34.404398\nTe Mo W Se S\n2 2 2 2 4\ndirect\n0.333376 0.666753 0.715897 Te\n0.333327 0.666654 0.604094 Te\n0.333324 0.666647 0.463476 Mo\n0.666681 0.333363 0.283186 Mo\n0.333310 0.666620 0.096227 W\n0.666686 0.333372 0.660047 W\n0.666672 0.333343 0.047296 Se\n0.666608 0.333216 0.145219 Se\n0.333337 0.666675 0.327610 S\n0.666665 0.333328 0.419073 S\n0.666656 0.333309 0.507875 S\n0.333356 0.666713 0.238748 S\n",
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{
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"updated_at": "2022-09-04T14:37:39.582150Z",
"structure_string": "Al8 Mo12 C4\n1.0\n6.893456 0.000000 0.000000\n-0.000000 6.893456 -0.000000\n0.000000 0.000000 6.893456\nAl Mo C\n8 12 4\ndirect\n0.566508 0.433493 0.933493 Al\n0.683493 0.683493 0.683493 Al\n0.933493 0.566508 0.433493 Al\n0.433493 0.933493 0.566508 Al\n0.183493 0.816508 0.316507 Al\n0.816508 0.316507 0.183493 Al\n0.316507 0.183493 0.816508 Al\n0.066507 0.066507 0.066507 Al\n0.125000 0.201849 0.451849 Mo\n0.375000 0.798151 0.951850 Mo\n0.875001 0.701849 0.048151 Mo\n0.201849 0.451849 0.125000 Mo\n0.798151 0.951850 0.375000 Mo\n0.048151 0.875001 0.701849 Mo\n0.951850 0.375000 0.798151 Mo\n0.298151 0.548151 0.625000 Mo\n0.548151 0.625000 0.298151 Mo\n0.701849 0.048151 0.875001 Mo\n0.625000 0.298151 0.548151 Mo\n0.451849 0.125000 0.201849 Mo\n0.625000 0.875001 0.125000 C\n0.875001 0.125000 0.625000 C\n0.125000 0.625000 0.875001 C\n0.375000 0.375000 0.375000 C\n",
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{
"id": "jvasp-12924",
"created_at": "2022-09-04T14:36:50.023347Z",
"updated_at": "2022-09-04T14:36:50.023363Z",
"structure_string": "Ba2 Br4 O12\n1.0\n6.984105 -0.045559 -1.977576\n-3.658589 5.949329 -1.977576\n0.028733 0.051010 7.882149\nBa Br O\n2 4 12\ndirect\n0.999064 0.999065 -0.000001 Ba\n0.749064 0.249065 0.499999 Ba\n0.616433 0.228191 0.955457 Br\n0.272733 0.660976 0.044542 Br\n0.978190 0.866434 0.455456 Br\n0.410976 0.522733 0.544542 Br\n0.214020 0.452318 0.112780 O\n0.339537 0.101239 0.887219 O\n0.326828 0.877393 0.239493 O\n0.637897 0.087334 0.760506 O\n0.627392 0.576828 0.739493 O\n0.884988 0.959962 0.614069 O\n0.345892 0.270920 0.385930 O\n0.851239 0.589537 0.387219 O\n0.020919 0.595893 0.885930 O\n0.709962 0.134989 0.114069 O\n0.837334 0.887898 0.260505 O\n0.202317 0.464020 0.612780 O\n",
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{
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"created_at": "2022-09-04T14:37:40.747175Z",
"updated_at": "2022-09-04T14:37:40.747196Z",
"structure_string": "Mn2 Sb4 S8\n1.0\n3.804402 0.000000 0.523204\n1.891167 6.311978 0.341829\n0.060803 -0.072997 13.651050\nMn Sb S\n2 4 8\ndirect\n-0.000000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.353852 0.426284 0.866012 Sb\n0.646147 0.573716 0.133988 Sb\n0.226681 0.918804 0.627832 Sb\n0.773318 0.081195 0.372168 Sb\n0.392498 0.760802 0.454202 S\n0.607501 0.239197 0.545798 S\n0.008912 0.151343 0.830832 S\n0.991087 0.848657 0.169168 S\n0.343790 0.272578 0.039842 S\n0.656210 0.727421 0.960158 S\n0.163426 0.347747 0.325401 S\n0.836573 0.652253 0.674599 S\n",
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"created_at": "2022-09-04T14:38:04.723635Z",
"updated_at": "2022-09-04T14:38:04.723663Z",
"structure_string": "Ba6 Te2\n1.0\n3.912739 -6.777063 0.000000\n3.912739 6.777063 -0.000000\n0.000000 0.000000 6.177908\nBa Te\n6 2\ndirect\n0.645025 0.822512 0.750000 Ba\n0.177488 0.354975 0.750000 Ba\n0.177488 0.822512 0.750000 Ba\n0.354975 0.177488 0.250000 Ba\n0.822512 0.645025 0.250000 Ba\n0.822512 0.177488 0.250000 Ba\n0.333333 0.666667 0.250000 Te\n0.666667 0.333333 0.750000 Te\n",
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{
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"structure_string": "Sr1 Sn7\n1.0\n6.893946 -0.000000 0.000000\n-0.000000 6.893946 -0.000000\n-0.000000 -0.000000 6.893946\nSr Sn\n1 7\ndirect\n0.000000 0.000000 0.500000 Sr\n0.267806 0.267806 0.767806 Sn\n0.000000 0.500000 0.000000 Sn\n0.267806 0.732194 0.232194 Sn\n0.500000 0.000000 0.000000 Sn\n0.732194 0.267806 0.232194 Sn\n0.500000 0.500000 0.500000 Sn\n0.732194 0.732194 0.767806 Sn\n",
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{
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"created_at": "2022-09-04T14:38:11.865237Z",
"updated_at": "2022-09-04T14:38:11.865248Z",
"structure_string": "Te2 Mo3 W1 S6\n1.0\n3.276883 0.000000 0.000000\n-1.638442 2.837849 -0.000057\n0.000000 -0.000569 35.234910\nTe Mo W S\n2 3 1 6\ndirect\n0.333350 0.666701 0.338145 Te\n0.333331 0.666663 0.228349 Te\n0.333303 0.666606 0.090742 Mo\n0.666673 0.333347 0.283247 Mo\n0.666693 0.333386 0.652206 Mo\n0.333331 0.666662 0.476715 W\n0.333363 0.666728 0.695868 S\n0.666631 0.333262 0.047117 S\n0.666653 0.333307 0.432782 S\n0.666647 0.333293 0.134427 S\n0.666673 0.333346 0.520632 S\n0.333348 0.666698 0.608516 S\n",
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{
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"created_at": "2022-09-04T14:37:29.680612Z",
"updated_at": "2022-09-04T14:37:29.680667Z",
"structure_string": "Mo4 Se6 S2\n1.0\n3.291683 0.000000 -0.000004\n-1.645841 2.850675 -0.000016\n-0.000045 -0.000051 34.925621\nMo Se S\n4 6 2\ndirect\n0.333324 0.666644 0.096624 Mo\n0.333333 0.666663 0.468767 Mo\n0.666668 0.333337 0.279275 Mo\n0.666677 0.333359 0.658249 Mo\n0.333344 0.666686 0.327549 Se\n0.333354 0.666709 0.706470 Se\n0.666668 0.333336 0.420493 Se\n0.666664 0.333323 0.517041 Se\n0.333329 0.666661 0.231014 Se\n0.333337 0.666680 0.609966 Se\n0.666655 0.333310 0.052696 S\n0.666656 0.333305 0.140607 S\n",
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}
]
}