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{
"id": "jvasp-52187",
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{
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{
"id": "jvasp-104156",
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"structure_string": "H4 C6 S1 O2\n1.0\n3.970047 -0.027059 -0.328468\n-1.849200 5.152623 -1.237283\n-0.114533 0.067043 6.635101\nH C S O\n4 6 1 2\ndirect\n0.957012 0.295104 0.849099 H\n0.964288 0.123953 0.210554 H\n0.299953 0.140052 0.580498 H\n0.658803 0.389847 0.004111 H\n0.165985 0.295884 0.315090 C\n0.350256 0.305538 0.512024 C\n0.605556 0.546469 0.610532 C\n0.286434 0.535140 0.268125 C\n0.902956 0.463539 0.938203 C\n0.864916 0.646530 0.801661 C\n0.618948 0.769049 0.460857 S\n0.203114 0.620639 0.102102 O\n0.063610 0.878692 0.853595 O\n",
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{
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"created_at": "2022-09-04T14:36:50.739959Z",
"updated_at": "2022-09-04T14:36:50.739989Z",
"structure_string": "Li2 Zr2 O4\n1.0\n-2.165205 2.165205 4.448692\n2.165205 -2.165205 4.448692\n2.165205 2.165205 -4.448692\nLi Zr O\n2 2 4\ndirect\n0.500000 0.500000 0.000000 Li\n0.250000 0.749999 0.499999 Li\n0.000000 0.000000 0.000000 Zr\n0.749999 0.250000 0.499999 Zr\n0.256124 0.256124 0.000000 O\n0.743875 0.743875 0.000000 O\n0.493876 0.993875 0.499999 O\n0.006124 0.506123 0.499999 O\n",
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{
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"created_at": "2022-09-04T14:37:04.700731Z",
"updated_at": "2022-09-04T14:37:04.700750Z",
"structure_string": "Fe4 O8\n1.0\n4.862160 0.001749 2.805709\n1.622388 4.583479 -2.805740\n-4.863426 -0.000000 2.807899\nFe O\n4 8\ndirect\n0.500000 0.500001 0.000001 Fe\n0.000001 0.000000 0.500000 Fe\n0.000002 0.500001 0.000001 Fe\n-0.000000 0.500001 0.500001 Fe\n0.762757 0.737244 0.025778 O\n0.211465 0.736978 0.474222 O\n0.237244 0.262756 0.974222 O\n0.236979 0.711465 0.974222 O\n0.788535 0.263023 0.525779 O\n0.237244 0.262756 0.525778 O\n0.763024 0.288534 0.025779 O\n0.762758 0.737244 0.474224 O\n",
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{
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"created_at": "2022-09-04T14:38:49.088078Z",
"updated_at": "2022-09-04T14:38:49.088088Z",
"structure_string": "Li4 Cr3 Co1 P4 O16\n1.0\n6.150023 -0.000000 0.000000\n0.000000 4.716065 0.035811\n-0.000000 0.004678 10.066731\nLi Cr Co P O\n4 3 1 4 16\ndirect\n0.255755 0.991452 0.004039 Li\n0.744245 0.991452 0.004039 Li\n0.741248 0.501505 0.493146 Li\n0.258751 0.501505 0.493146 Li\n0.500000 0.538429 0.782914 Cr\n-0.000000 0.457464 0.218891 Cr\n-0.000000 0.048601 0.717089 Cr\n0.500000 0.967629 0.278447 Co\n0.500000 0.084740 0.595559 P\n0.500000 0.418753 0.092437 P\n-0.000000 0.580165 0.906095 P\n-0.000000 0.916444 0.405783 P\n0.700615 0.219175 0.668089 O\n-0.000000 0.244687 0.398665 O\n-0.000000 0.253251 0.899687 O\n0.297133 0.283311 0.161957 O\n0.702866 0.283311 0.161957 O\n0.500000 0.294947 0.947836 O\n-0.000000 0.693534 0.051435 O\n0.201958 0.778323 0.338639 O\n0.201993 0.717735 0.837150 O\n0.500000 0.743892 0.090290 O\n0.500000 0.757213 0.602460 O\n0.798042 0.778323 0.338639 O\n0.299385 0.219175 0.668089 O\n-0.000000 0.809365 0.553359 O\n0.798006 0.717735 0.837150 O\n0.500000 0.207896 0.453004 O\n",
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{
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"created_at": "2022-09-04T14:37:17.375524Z",
"updated_at": "2022-09-04T14:37:17.375542Z",
"structure_string": "Ca2 Fe4 O8\n1.0\n3.082061 0.000000 0.000000\n-1.541031 4.850193 -0.000000\n-0.000000 -0.000000 9.765646\nCa Fe O\n2 4 8\ndirect\n0.387240 0.774480 0.750000 Ca\n0.612760 0.225520 0.250000 Ca\n0.870502 0.741005 0.066188 Fe\n0.129498 0.258994 0.933812 Fe\n0.870502 0.741005 0.433812 Fe\n0.129498 0.258994 0.566188 Fe\n0.227831 0.455663 0.394585 O\n0.772168 0.544337 0.605415 O\n0.772168 0.544337 0.894586 O\n0.227831 0.455663 0.105415 O\n0.931353 0.862706 0.250000 O\n0.068647 0.137293 0.750000 O\n0.500000 -0.000000 0.000000 O\n0.500000 -0.000000 0.500000 O\n",
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{
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"structure_string": "Mg1 Ta2 N3\n1.0\n3.966957 0.008311 -3.656624\n-0.380451 2.933561 -4.511895\n-0.007353 -0.008311 5.395145\nMg Ta N\n1 2 3\ndirect\n0.000000 0.000000 0.000000 Mg\n0.667773 0.667772 0.000001 Ta\n0.332228 0.332227 0.000001 Ta\n0.500001 0.000000 0.500001 N\n0.159970 0.659969 0.500002 N\n0.840032 0.340031 0.500002 N\n",
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},
{
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"created_at": "2022-09-04T14:38:08.617723Z",
"updated_at": "2022-09-04T14:38:08.617760Z",
"structure_string": "Sm4 Ni4 B16\n1.0\n-3.818203 3.818203 4.291409\n3.818203 -3.818203 4.291409\n3.818203 3.818203 -4.291409\nSm Ni B\n4 4 16\ndirect\n0.750000 0.250000 0.500000 Sm\n0.250000 0.750000 0.500000 Sm\n0.205878 0.205878 0.000000 Sm\n0.794122 0.794122 0.000000 Sm\n0.500000 0.271835 0.771834 Ni\n0.500000 0.728165 0.228165 Ni\n0.728165 0.500000 0.228165 Ni\n0.271835 0.500000 0.771834 Ni\n0.275209 0.111776 0.386986 B\n0.724790 0.888224 0.613011 B\n0.111776 0.724788 0.836564 B\n0.888224 0.275211 0.163435 B\n0.888224 0.724790 0.613011 B\n0.111776 0.275209 0.386986 B\n0.416685 0.887981 0.000000 B\n0.112020 0.583314 0.000000 B\n0.112019 0.112019 0.528705 B\n0.583314 0.583314 0.471295 B\n0.724788 0.111776 0.836564 B\n0.583314 0.112020 0.000000 B\n0.887981 0.887981 0.471295 B\n0.416684 0.416684 0.528705 B\n0.887981 0.416685 0.000000 B\n0.275211 0.888224 0.163435 B\n",
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{
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"structure_string": "Li4 Ti3 Fe3 Sb2 O16\n1.0\n5.837923 -0.014716 0.024690\n-2.906719 4.980924 0.056835\n-0.042589 -0.027467 10.054503\nLi Ti Fe Sb O\n4 3 3 2 16\ndirect\n0.669851 0.339713 0.899402 Li\n0.991117 0.982284 0.989516 Li\n-0.003398 -0.006800 0.494776 Li\n0.338580 0.677189 0.397189 Li\n0.350158 0.184717 0.214945 Ti\n0.834507 0.184718 0.214941 Ti\n0.176544 0.353083 0.718948 Ti\n0.173970 0.827262 0.722939 Fe\n0.653291 0.827263 0.722940 Fe\n0.819248 0.638536 0.204734 Fe\n0.672217 0.344439 0.508711 Sb\n0.336339 0.672714 0.990804 Sb\n0.158880 0.317806 0.088503 O\n0.150680 0.828559 0.094889 O\n0.337047 0.674086 0.606728 O\n0.484962 0.519203 0.845459 O\n0.034232 0.519201 0.845457 O\n0.846918 0.693830 0.619564 O\n0.988516 0.494500 0.320072 O\n0.513343 0.026729 0.319846 O\n0.842458 0.157690 0.613458 O\n-0.005277 -0.010549 0.811289 O\n-0.005116 -0.010186 0.302170 O\n0.657003 0.314059 0.094456 O\n0.484589 0.969188 0.837676 O\n0.315231 0.157685 0.613460 O\n0.505943 0.494497 0.320073 O\n0.677838 0.828558 0.094893 O\n",
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{
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"created_at": "2022-09-04T14:36:32.626408Z",
"updated_at": "2022-09-04T14:36:32.626427Z",
"structure_string": "Fe4 O8\n1.0\n-5.613491 0.004957 -0.005430\n-0.005537 -5.613447 -0.008593\n2.805645 2.798199 3.977589\nFe O\n4 8\ndirect\n0.500000 -0.000000 0.500000 Fe\n0.500000 -0.000000 -0.000000 Fe\n0.500000 0.500000 0.000000 Fe\n0.000001 -0.000000 0.500000 Fe\n0.262891 0.788507 0.525742 O\n0.288515 0.762896 0.025756 O\n0.737235 0.762859 0.025744 O\n0.711487 0.237104 0.974245 O\n0.737153 0.762758 0.474254 O\n0.262849 0.237242 0.525747 O\n0.262766 0.237142 0.974257 O\n0.737111 0.211494 0.474259 O\n",
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{
"id": "jvasp-110009",
"created_at": "2022-09-04T14:37:26.971621Z",
"updated_at": "2022-09-04T14:37:26.971652Z",
"structure_string": "Na1 Al1 O3\n1.0\n3.735654 -0.000000 0.000000\n0.000000 3.735654 0.000000\n-0.000000 -0.000000 3.735654\nNa Al O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Al\n0.500000 0.500000 -0.000000 O\n0.500000 0.000000 0.500000 O\n-0.000000 0.500000 0.500000 O\n",
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}
]
}