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{
"id": "jvasp-13321",
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"updated_at": "2022-09-04T14:37:08.395177Z",
"structure_string": "Ca2 Sm4 S8\n1.0\n7.339086 0.016196 0.000000\n-2.431093 6.924754 0.000000\n-2.453997 -3.470476 5.982988\nCa Sm S\n2 4 8\ndirect\n0.625000 0.375000 0.250000 Ca\n0.875000 0.125000 0.750000 Ca\n0.121619 0.749999 0.871620 Sm\n0.250000 0.621619 0.371620 Sm\n0.378381 0.250000 0.628381 Sm\n0.750001 0.878380 0.128380 Sm\n0.003919 0.859099 0.501743 S\n0.002176 0.357356 0.498257 S\n0.496081 0.997824 0.855181 S\n0.140900 0.142643 0.144819 S\n0.359100 0.503919 0.001743 S\n0.642644 0.640900 0.644819 S\n0.497825 0.996081 0.355181 S\n0.857357 0.502175 0.998257 S\n",
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{
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"structure_string": "Mg2 Mn4 S8\n1.0\n7.023806 0.002119 0.002678\n3.510642 6.200919 -0.000032\n3.508587 1.879520 5.909955\nMg Mn S\n2 4 8\ndirect\n0.000001 -0.000004 0.999998 Mg\n-0.000008 0.500003 0.500015 Mg\n-0.000002 -0.000002 0.500007 Mn\n0.499991 0.000010 0.000010 Mn\n0.499998 0.999996 0.500009 Mn\n0.500003 0.499998 0.499993 Mn\n0.746312 0.225079 0.282211 S\n0.758702 0.238552 0.738483 S\n0.746398 0.782215 0.725086 S\n0.735747 0.761518 0.261457 S\n0.253593 0.217788 0.274938 S\n0.241290 0.761451 0.261525 S\n0.264250 0.238480 0.738554 S\n0.253692 0.774909 0.717795 S\n",
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{
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"structure_string": "Cd2 Ga4 O8\n1.0\n5.335623 -0.000000 3.080523\n1.778541 5.030473 3.080523\n-0.000000 -0.000000 6.161046\nCd Ga O\n2 4 8\ndirect\n0.875000 0.874999 0.875000 Cd\n0.125000 0.125000 0.125000 Cd\n0.500000 0.000000 0.500000 Ga\n-0.000000 0.500000 0.500000 Ga\n0.500000 0.500000 -0.000000 Ga\n0.500000 0.500000 0.500000 Ga\n0.732037 0.732037 0.732038 O\n0.267962 0.267962 0.696114 O\n0.267962 0.696113 0.267962 O\n0.696113 0.267962 0.267962 O\n0.732037 0.303886 0.732038 O\n0.303886 0.732037 0.732038 O\n0.267962 0.267962 0.267963 O\n0.732037 0.732037 0.303886 O\n",
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{
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"updated_at": "2022-09-04T14:37:15.976221Z",
"structure_string": "Mo2 H4 O8\n1.0\n3.746579 0.071035 -0.361701\n1.719003 5.670622 -0.345795\n0.711786 2.251872 6.887882\nMo H O\n2 4 8\ndirect\n0.231165 0.120939 0.767368 Mo\n0.853876 0.906024 0.211467 Mo\n0.680472 0.621365 0.812399 H\n0.788697 0.480226 0.167555 H\n0.251521 0.623713 0.811914 H\n0.353418 0.351581 0.174461 H\n0.194293 0.206518 0.526538 O\n0.897050 0.812080 0.451731 O\n0.300735 0.943901 0.135036 O\n0.760718 0.045170 0.835619 O\n0.077287 0.403700 0.822700 O\n0.935530 0.598644 0.160989 O\n0.414923 0.728809 0.808960 O\n0.621683 0.257290 0.170824 O\n",
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{
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"updated_at": "2022-09-04T14:37:08.453081Z",
"structure_string": "Ba1 Ca1 Sn4 O8\n1.0\n3.051928 -5.286094 -0.000000\n3.051928 5.286094 -0.000000\n-0.000000 0.000000 7.036662\nBa Ca Sn O\n1 1 4 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Ca\n0.333333 0.666667 0.713297 Sn\n0.666667 0.333333 0.713297 Sn\n0.333333 0.666667 0.286703 Sn\n0.666667 0.333333 0.286703 Sn\n0.304074 0.304074 0.707072 O\n0.695926 0.000000 0.707072 O\n0.000000 0.695926 0.707072 O\n0.695926 0.695926 0.292927 O\n0.000000 0.304074 0.292927 O\n0.304074 0.000000 0.292927 O\n0.333333 0.666667 0.000000 O\n0.666667 0.333333 0.000000 O\n",
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"structure_string": "Li5 Cu1 F8\n1.0\n4.998074 -0.018684 0.000000\n-1.716492 4.694118 0.000000\n0.000000 0.000000 5.851415\nLi Cu F\n5 1 8\ndirect\n0.000000 0.500000 0.227969 Li\n0.000000 0.500000 0.772032 Li\n0.500000 0.500001 0.000000 Li\n0.500000 0.000000 0.227969 Li\n0.500000 0.000000 0.772032 Li\n0.500000 0.500001 0.500000 Cu\n0.264232 0.735769 0.000000 F\n0.265971 0.734030 0.500000 F\n0.271179 0.271179 0.260263 F\n0.271179 0.271179 0.739738 F\n0.728821 0.728822 0.260263 F\n0.728821 0.728822 0.739738 F\n0.734029 0.265972 0.500000 F\n0.735768 0.264233 0.000000 F\n",
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{
"id": "jvasp-11597",
"created_at": "2022-09-04T14:37:14.777981Z",
"updated_at": "2022-09-04T14:37:14.778005Z",
"structure_string": "Al5 Cu1 S8\n1.0\n7.079127 0.000000 0.000000\n3.539564 6.130704 0.000000\n3.539564 2.043568 5.780083\nAl Cu S\n5 1 8\ndirect\n0.019659 0.493447 0.493447 Al\n0.493447 0.493447 0.019660 Al\n0.493447 0.019660 0.493447 Al\n0.493447 0.493447 0.493447 Al\n0.875000 0.875000 0.875000 Al\n0.125000 0.125000 0.125000 Cu\n0.256929 0.256929 0.256929 S\n0.256929 0.729213 0.256929 S\n0.256928 0.256929 0.729212 S\n0.729213 0.256929 0.256929 S\n0.274885 0.741705 0.741704 S\n0.741705 0.741705 0.274885 S\n0.741705 0.274886 0.741704 S\n0.741705 0.741705 0.741704 S\n",
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"created_at": "2022-09-04T14:37:27.779675Z",
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"structure_string": "Mg2 Mn4 O8\n1.0\n5.945106 -0.064733 -0.045774\n2.916492 5.051513 -0.000000\n2.916492 1.683838 4.762611\nMg Mn O\n2 4 8\ndirect\n0.993236 0.002255 0.002256 Mg\n0.123037 0.625654 0.625654 Mg\n0.252500 0.249167 0.249167 Mn\n0.626138 0.123277 0.625293 Mn\n0.626138 0.625293 0.123277 Mn\n0.626138 0.625293 0.625293 Mn\n0.402056 0.380211 0.380211 O\n0.402056 0.380211 0.837521 O\n0.402056 0.837521 0.380211 O\n0.843319 0.385561 0.385561 O\n0.406040 0.864653 0.864653 O\n0.849095 0.410884 0.870011 O\n0.849095 0.870011 0.410885 O\n0.849095 0.870011 0.870011 O\n",
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"structure_string": "Al4 Ni2 O8\n1.0\n5.754153 0.001938 0.006516\n-2.875470 -4.983650 0.059828\n-2.872240 1.599837 -4.722386\nAl Ni O\n4 2 8\ndirect\n0.499997 -0.000003 -0.000003 Al\n0.499999 0.499999 -0.000003 Al\n-0.000005 0.499996 0.499997 Al\n0.000001 0.500000 0.000002 Al\n0.749982 0.875003 0.624960 Ni\n0.250025 0.125005 0.375049 Ni\n0.028497 0.735775 0.764227 O\n0.971503 0.264224 0.235776 O\n0.028502 0.292729 0.764274 O\n0.971494 0.707265 0.235727 O\n0.471481 0.735722 0.207242 O\n0.471501 0.735770 0.764221 O\n0.528496 0.264229 0.235778 O\n0.528518 0.264280 0.792753 O\n",
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"structure_string": "Al4 Hg2 O8\n1.0\n0.000000 4.270181 4.270181\n-4.270289 4.270181 0.000000\n-0.000000 -4.270181 4.270181\nAl Hg O\n4 2 8\ndirect\n0.375000 0.750000 0.375000 Al\n0.875000 0.750000 0.375000 Al\n0.375000 0.250000 0.875000 Al\n0.375000 0.250000 0.375000 Al\n0.750000 0.500000 0.750000 Hg\n0.000000 0.000000 0.000000 Hg\n0.602491 0.795018 0.602497 O\n0.602491 0.795018 0.192521 O\n0.147509 0.704982 0.147503 O\n0.147509 0.704982 0.557480 O\n0.557479 0.295018 0.147509 O\n0.147503 0.295018 0.147509 O\n0.602497 0.204982 0.602491 O\n0.192520 0.204982 0.602491 O\n",
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"structure_string": "Zn2 Sb4 O8\n1.0\n3.315330 -0.002165 -0.002015\n-1.653570 6.382929 -0.585428\n-1.653171 -2.005513 9.917621\nZn Sb O\n2 4 8\ndirect\n0.490340 0.733674 0.238913 Zn\n0.490076 0.233264 0.739201 Zn\n0.694619 0.302983 0.078060 Sb\n0.694061 0.802750 0.577713 Sb\n0.286331 0.164184 0.400400 Sb\n0.285839 0.663960 0.900053 Sb\n0.668072 0.562904 0.765453 O\n0.668525 0.063335 0.265671 O\n0.311901 0.903607 0.712444 O\n0.312406 0.404027 0.212659 O\n0.119394 0.340690 0.890190 O\n0.119546 0.840820 0.390240 O\n0.861145 0.626256 0.087931 O\n0.860860 0.126113 0.587870 O\n",
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{
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"structure_string": "Sr4 Li1 B3 N6\n1.0\n6.088248 -0.000000 -2.152521\n-3.044124 5.272578 -2.152521\n0.000000 0.000000 6.457562\nSr Li B N\n4 1 3 6\ndirect\n0.000000 0.500000 0.000000 Sr\n0.500000 0.000000 0.000000 Sr\n0.500001 0.500000 0.500000 Sr\n-0.000000 -0.000000 0.500000 Sr\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 B\n0.500000 -0.000000 0.500000 B\n0.500001 0.500000 0.000000 B\n0.680524 -0.000000 0.680524 N\n0.000000 0.319476 0.319476 N\n0.319476 -0.000000 0.319476 N\n0.319477 0.319476 0.000000 N\n0.680525 0.680524 0.000001 N\n0.000001 0.680524 0.680524 N\n",
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]
}