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{
"id": "jvasp-37924",
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{
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{
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"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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"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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{
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"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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"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": "2022-09-04T14:37:31.478189Z",
"updated_at": "2022-09-04T14:37:31.478211Z",
"structure_string": "Cr4 S10\n1.0\n4.175841 0.000012 -0.000004\n-0.000016 5.762483 0.002780\n-0.000004 -0.006546 13.611875\nCr S\n4 10\ndirect\n0.018566 0.120459 0.148898 Cr\n0.518566 0.879668 0.351107 Cr\n0.518564 0.879535 0.648896 Cr\n0.018565 0.120333 0.851106 Cr\n0.518566 0.976491 0.183419 S\n0.018567 0.023705 0.316599 S\n0.018566 0.023511 0.683417 S\n0.518564 0.976288 0.816602 S\n0.018582 0.464605 0.852647 S\n0.518581 0.535263 0.647316 S\n0.518584 0.535398 0.352652 S\n0.518569 0.002142 0.500010 S\n0.018569 -0.002136 0.000010 S\n0.018584 0.464730 0.147318 S\n",
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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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"structure_string": "Th6 P8\n1.0\n7.090828 -0.000000 -2.506987\n-3.545414 6.140837 -2.506987\n-0.000000 -0.000000 7.520959\nTh P\n6 8\ndirect\n0.250001 0.625000 0.375000 Th\n0.375000 0.250000 0.625000 Th\n0.125001 0.750000 0.875000 Th\n0.875000 0.125000 0.750000 Th\n0.625001 0.375000 0.250000 Th\n0.750001 0.875000 0.125000 Th\n0.157431 0.157431 0.157431 P\n0.842569 0.500000 -0.000000 P\n0.000001 0.842569 0.500000 P\n0.500000 0.000000 0.842569 P\n0.000000 0.342569 0.500000 P\n0.500000 0.000000 0.342569 P\n0.342569 0.500000 -0.000000 P\n0.657432 0.657432 0.657431 P\n",
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{
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{
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"structure_string": "Na2 Li1 Bi1 Br6\n1.0\n6.700246 0.000000 3.868389\n2.233415 6.317053 3.868389\n0.000000 0.000000 7.736778\nNa Li Bi Br\n2 1 1 6\ndirect\n0.750001 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.500001 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Bi\n0.741176 0.258824 0.258824 Br\n0.258825 0.258824 0.741176 Br\n0.258825 0.741175 0.741176 Br\n0.258825 0.741175 0.258824 Br\n0.741176 0.258824 0.741176 Br\n0.741177 0.741175 0.258824 Br\n",
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}