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{
"id": "jvasp-65693",
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{
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"structure_string": "Li2 Tb2 Se4\n1.0\n8.050675 -0.000000 0.000000\n8.050675 7.029322 0.040488\n4.025337 4.705309 3.327202\nTb Li Se\n2 2 4\ndirect\n0.999999 0.000000 0.000000 Tb\n0.750000 0.500000 0.000000 Tb\n0.500001 0.000000 0.000000 Li\n0.249998 0.500000 0.000000 Li\n0.248096 0.000001 0.503808 Se\n0.998094 0.500001 0.503808 Se\n0.751905 -0.000001 0.496192 Se\n0.501904 0.499999 0.496192 Se\n",
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{
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"updated_at": "2022-09-04T14:36:19.912721Z",
"structure_string": "K4 Sn2 Br12\n1.0\n5.117739 5.119276 -0.000071\n-5.119177 5.118194 0.000020\n0.000104 0.000063 11.060405\nK Sn Br\n4 2 12\ndirect\n0.500075 0.499926 -0.000011 K\n0.000012 0.000015 0.000001 K\n0.500012 0.499975 0.499993 K\n-0.000013 0.000034 0.500020 K\n0.499969 -0.000041 0.249972 Sn\n0.000012 0.500047 0.750026 Sn\n0.198775 0.805623 0.750004 Br\n0.801234 0.194478 0.750048 Br\n0.694414 0.698810 0.750015 Br\n0.301189 0.305551 0.249962 Br\n0.305613 0.301269 0.750017 Br\n0.499971 0.999932 0.008881 Br\n0.000037 0.500055 0.991121 Br\n0.805554 0.198736 0.249964 Br\n0.000006 0.500011 0.508927 Br\n0.499996 0.999992 0.491070 Br\n0.698755 0.694377 0.249983 Br\n0.194383 0.801213 0.250005 Br\n",
"nsites": 18,
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"elements": [
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{
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"created_at": "2022-09-04T14:36:19.910735Z",
"updated_at": "2022-09-04T14:36:19.910768Z",
"structure_string": "Li2 Ge1 Pb1 S4\n1.0\n5.514447 -0.050837 -2.547276\n-3.245153 5.040782 -0.979711\n-0.032728 0.050837 6.074263\nLi Ge Pb S\n2 1 1 4\ndirect\n0.500000 0.250000 0.749999 Li\n0.500000 0.750000 0.250000 Li\n0.000000 0.500000 0.500000 Ge\n0.000000 0.000000 0.000000 Pb\n0.601772 0.463180 0.463180 S\n0.000000 0.536819 0.138590 S\n0.000000 0.138590 0.536819 S\n0.398229 0.861410 0.861409 S\n",
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"updated_at": "2022-09-04T14:36:19.904364Z",
"structure_string": "Ba1 P2 Br1\n1.0\n-2.121309 2.121309 6.128045\n2.121309 -2.121309 6.128045\n2.121309 2.121309 -6.128045\nBa P Br\n1 2 1\ndirect\n0.250000 0.750000 0.500000 Ba\n0.000000 0.000000 0.000000 P\n0.500000 0.500000 0.000000 P\n0.750000 0.250000 0.500000 Br\n",
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{
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"created_at": "2022-09-04T14:36:19.901442Z",
"updated_at": "2022-09-04T14:36:19.901470Z",
"structure_string": "Be2 Bi1 Cl1\n1.0\n3.095702 0.000000 0.000000\n0.000000 3.095702 0.000000\n0.000000 0.000000 8.681405\nBe Bi Cl\n2 1 1\ndirect\n0.000000 0.000000 0.169125 Be\n0.500000 0.500000 0.034702 Be\n0.000000 0.000000 0.474081 Bi\n0.500000 0.500000 0.822093 Cl\n",
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{
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"created_at": "2022-09-04T14:36:19.901348Z",
"updated_at": "2022-09-04T14:36:19.901372Z",
"structure_string": "U2 As2 P2\n1.0\n3.881836 0.000000 0.000000\n0.000000 3.881836 0.000000\n-0.000000 -0.000000 8.019422\nU As P\n2 2 2\ndirect\n0.000000 0.500001 0.294049 U\n0.500001 0.000000 0.705951 U\n0.500001 0.500001 0.000000 As\n0.000000 0.000000 0.000000 As\n0.000000 0.500001 0.640725 P\n0.500001 0.000000 0.359275 P\n",
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{
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"created_at": "2022-09-04T14:36:19.898993Z",
"updated_at": "2022-09-04T14:36:19.899024Z",
"structure_string": "Ca2 Bi4\n1.0\n-0.000000 0.000000 -4.590738\n-4.760206 0.000000 -0.000000\n2.380103 8.574916 -0.000000\nCa Bi\n2 4\ndirect\n0.750000 0.099203 0.198405 Ca\n0.250000 0.900799 0.801596 Ca\n0.750000 0.434410 0.868819 Bi\n0.250000 0.565592 0.131181 Bi\n0.750000 0.742537 0.485072 Bi\n0.250000 0.257465 0.514928 Bi\n",
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{
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"updated_at": "2022-09-04T14:36:19.898366Z",
"structure_string": "Ca2 B4 H16\n1.0\n-0.000000 4.361789 6.407195\n3.679672 -0.000000 6.407195\n3.679672 4.361789 0.000000\nCa B H\n2 4 16\ndirect\n0.375001 0.375000 0.875000 Ca\n0.625001 0.625000 0.124999 Ca\n0.148027 0.148027 0.101973 B\n0.601974 0.601973 0.648026 B\n0.851974 0.851973 0.898026 B\n0.398027 0.398027 0.351973 B\n0.785950 0.528678 0.691058 H\n0.994315 0.191059 0.028677 H\n0.808942 0.005685 0.714051 H\n0.471323 0.214051 0.505685 H\n0.214052 0.471322 0.308941 H\n0.005686 0.808941 0.971322 H\n0.655981 0.938017 0.086700 H\n0.938018 0.655980 0.819300 H\n0.586701 0.319301 0.155980 H\n0.528679 0.785949 0.494314 H\n0.344020 0.061983 0.913299 H\n0.680700 0.413299 0.561983 H\n0.413300 0.680699 0.844019 H\n0.061983 0.344020 0.180699 H\n0.319301 0.586701 0.438017 H\n0.191059 0.994315 0.285948 H\n",
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"structure_string": "Mn2 Co4 O12\n1.0\n4.917384 -0.001105 -0.000000\n2.445267 4.249696 -0.000000\n-0.000000 -0.000000 8.831924\nMn Co O\n2 4 12\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.333324 0.333338 0.000000 Co\n0.333324 0.833338 0.500000 Co\n0.666676 0.166662 0.500000 Co\n0.666676 0.666662 0.000000 Co\n0.663555 0.336316 0.893602 O\n0.663555 0.000128 0.106397 O\n0.336445 0.663684 0.106397 O\n0.336445 0.499872 0.606397 O\n0.336445 0.163683 0.393603 O\n0.000000 0.663186 0.893291 O\n0.336445 -0.000129 0.893602 O\n0.663555 0.500128 0.393603 O\n0.000000 0.336815 0.106708 O\n0.000000 0.163185 0.606708 O\n0.000000 0.836816 0.393292 O\n0.663555 0.836317 0.606397 O\n",
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"updated_at": "2022-09-04T14:36:19.896924Z",
"structure_string": "Ba1 Bi2 Br1\n1.0\n4.238148 0.000000 -0.000000\n-0.000000 4.238148 -0.000000\n-0.000000 -0.000000 8.040180\nBa Bi Br\n1 2 1\ndirect\n0.500000 0.500000 0.719703 Ba\n0.000000 0.000000 0.040315 Bi\n0.500000 0.500000 0.193844 Bi\n0.000000 0.000000 0.546137 Br\n",
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