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{
"id": "jvasp-22871",
"created_at": "2022-09-04T14:37:33.198445Z",
"updated_at": "2022-09-04T14:37:33.198472Z",
"structure_string": "Ba1 Ni12 B6\n1.0\n5.942841 -0.002139 -1.548738\n-2.003567 5.594916 -1.548738\n-0.001507 -0.002139 6.141331\nBa Ni B\n1 12 6\ndirect\n0.000000 0.000000 0.000000 Ba\n0.466559 0.466560 0.187963 Ni\n0.867682 0.132317 0.499999 Ni\n0.499999 0.867683 0.132317 Ni\n0.132316 0.500000 0.867682 Ni\n0.533439 0.533440 0.812036 Ni\n0.533440 0.812037 0.533440 Ni\n0.812036 0.533440 0.533440 Ni\n0.132317 0.867683 0.500000 Ni\n0.187963 0.466560 0.466559 Ni\n0.466559 0.187964 0.466559 Ni\n0.499999 0.132317 0.867682 Ni\n0.867682 0.500000 0.132317 Ni\n0.354001 0.769510 0.769509 B\n0.769509 0.354002 0.769509 B\n0.230490 0.645999 0.230490 B\n0.230489 0.230490 0.645998 B\n0.645998 0.230490 0.230489 B\n0.769509 0.769510 0.354001 B\n",
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{
"id": "jvasp-112819",
"created_at": "2022-09-04T14:38:43.987215Z",
"updated_at": "2022-09-04T14:38:43.987240Z",
"structure_string": "Fe6 O5 F7\n1.0\n4.590079 -0.040077 0.108466\n0.166718 5.474500 0.447948\n0.039533 0.004350 7.695460\nFe O F\n6 5 7\ndirect\n0.500113 0.166324 0.336748 Fe\n0.477361 0.480080 0.000772 Fe\n0.539821 0.841075 0.659513 Fe\n0.014921 0.660555 0.323945 Fe\n0.924181 0.341944 0.672763 Fe\n0.036894 0.014227 0.009847 Fe\n0.210573 0.699172 0.097500 O\n0.307140 0.209972 0.124249 O\n0.691856 0.127119 0.550269 O\n0.786113 0.288483 0.908158 O\n0.799681 0.641764 0.551007 O\n0.775503 0.960309 0.232958 F\n0.704102 0.784251 0.905987 F\n0.714494 0.442746 0.245615 F\n0.284577 0.888193 0.424156 F\n0.297226 0.547677 0.754628 F\n0.213817 0.038253 0.760189 F\n0.221628 0.367848 0.441704 F\n",
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{
"id": "jvasp-23964",
"created_at": "2022-09-04T14:37:43.111740Z",
"updated_at": "2022-09-04T14:37:43.111761Z",
"structure_string": "Al2 H24 Cl6 O12\n1.0\n7.819564 -0.148076 -1.089050\n-1.230817 7.723509 -1.089050\n-0.128790 -0.148076 7.893986\nAl H Cl O\n2 24 6 12\ndirect\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.794232 0.392473 0.586845 H\n0.237506 0.279755 0.537867 H\n0.262493 0.962133 0.220244 H\n0.220244 0.262493 0.962133 H\n0.537867 0.237506 0.279756 H\n0.279755 0.537867 0.237507 H\n0.779755 0.737506 0.037867 H\n0.037867 0.779755 0.737507 H\n0.737506 0.037866 0.779756 H\n0.762493 0.720244 0.462133 H\n0.462132 0.762493 0.720245 H\n0.962132 0.220244 0.262493 H\n0.294233 0.086844 0.892474 H\n0.892473 0.294232 0.086844 H\n0.086844 0.892474 0.294233 H\n0.413155 0.205767 0.607527 H\n0.607526 0.413155 0.205767 H\n0.205767 0.607526 0.413156 H\n0.705766 0.913155 0.107526 H\n0.107526 0.705767 0.913156 H\n0.913155 0.107526 0.705767 H\n0.392473 0.586844 0.794233 H\n0.720244 0.462132 0.762494 H\n0.586844 0.794233 0.392474 H\n0.523024 0.976975 0.250000 Cl\n0.250000 0.523024 0.976975 Cl\n0.976974 0.249999 0.523025 Cl\n0.476975 0.023024 0.750000 Cl\n0.023025 0.750000 0.476975 Cl\n0.749999 0.476975 0.023025 Cl\n0.546553 0.367335 0.296176 O\n0.367335 0.296176 0.546554 O\n0.132665 0.953447 0.203824 O\n0.953446 0.203823 0.132665 O\n0.203824 0.132664 0.953447 O\n0.796175 0.867335 0.046553 O\n0.867334 0.046553 0.796176 O\n0.632664 0.703823 0.453447 O\n0.453446 0.632665 0.703824 O\n0.703823 0.453446 0.632665 O\n0.296176 0.546553 0.367335 O\n0.046553 0.796176 0.867335 O\n",
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{
"id": "jvasp-50815",
"created_at": "2022-09-04T14:36:08.702765Z",
"updated_at": "2022-09-04T14:36:08.702795Z",
"structure_string": "Li10 In2 O8\n1.0\n4.734873 0.000000 0.000000\n0.000000 6.506590 0.000000\n0.000000 0.000000 6.975213\nLi In O\n10 2 8\ndirect\n0.244182 0.743203 0.689609 Li\n0.755817 0.243203 0.810390 Li\n0.241098 0.500000 0.000000 Li\n0.755817 0.243203 0.189610 Li\n0.755817 0.756797 0.189610 Li\n0.755817 0.756797 0.810390 Li\n0.244182 0.743203 0.310390 Li\n0.758902 0.000000 0.500000 Li\n0.244182 0.256797 0.689609 Li\n0.244182 0.256797 0.310390 Li\n0.766974 0.500000 0.500000 In\n0.233025 0.000000 0.000000 In\n0.474264 0.261476 0.000000 O\n0.007329 0.500000 0.751791 O\n0.525735 0.761476 0.500000 O\n0.525735 0.238524 0.500000 O\n0.007329 0.500000 0.248209 O\n0.992671 0.000000 0.251791 O\n0.474264 0.738524 0.000000 O\n0.992671 0.000000 0.748209 O\n",
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{
"id": "jvasp-8258",
"created_at": "2022-09-04T14:37:05.282996Z",
"updated_at": "2022-09-04T14:37:05.283017Z",
"structure_string": "Y1 Cu1 O3\n1.0\n3.773334 0.000000 0.000000\n0.000000 3.773334 0.000000\n0.000000 -0.000000 3.773257\nY Cu O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Y\n0.499999 0.499999 0.500000 Cu\n0.499999 0.000000 0.500000 O\n0.000000 0.499999 0.500000 O\n0.499999 0.499999 0.000000 O\n",
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},
{
"id": "jvasp-22864",
"created_at": "2022-09-04T14:37:34.872068Z",
"updated_at": "2022-09-04T14:37:34.872088Z",
"structure_string": "K2 Li14 Zr3 O14\n1.0\n6.518632 0.000000 -3.218633\n-1.825616 6.610184 -3.697383\n0.005120 0.008388 8.220713\nK Li Zr O\n2 14 3 14\ndirect\n0.764093 0.500000 0.000000 K\n0.235906 0.500000 -0.000000 K\n0.408002 0.976126 0.270507 Li\n0.862505 0.294381 0.270507 Li\n0.591997 0.705618 0.729493 Li\n0.770775 0.129173 0.541551 Li\n0.229224 0.870826 0.458449 Li\n0.137494 0.705618 0.729493 Li\n0.500000 0.154272 0.000000 Li\n0.499999 0.845728 -0.000000 Li\n0.137495 0.023874 0.729493 Li\n0.408002 0.294381 0.270507 Li\n0.591997 0.023874 0.729493 Li\n0.862504 0.976126 0.270507 Li\n0.770775 0.412378 0.541551 Li\n0.229224 0.587622 0.458449 Li\n0.000000 0.000000 0.000000 Zr\n0.727528 0.727528 0.455057 Zr\n0.272471 0.272471 0.544943 Zr\n0.371492 0.161866 0.742984 O\n0.032430 0.745655 0.491310 O\n0.541120 0.254344 0.508690 O\n0.967569 0.254344 0.508690 O\n0.458879 0.745655 0.491310 O\n0.711530 -0.000000 0.000000 O\n0.288470 -0.000000 0.000000 O\n0.872229 0.691022 0.744461 O\n0.127770 0.308978 0.255539 O\n0.127769 0.946562 0.255539 O\n0.628507 0.418881 0.257016 O\n0.872230 0.053438 0.744461 O\n0.371492 0.581118 0.742984 O\n0.628507 0.838134 0.257016 O\n",
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{
"id": "jvasp-99125",
"created_at": "2022-09-04T14:36:06.657104Z",
"updated_at": "2022-09-04T14:36:06.657130Z",
"structure_string": "Mg12 Si4 O16 F8\n1.0\n4.746240 0.000000 0.000000\n-0.000000 8.774269 0.000000\n0.000000 0.000000 10.321135\nMg Si O F\n12 4 16 8\ndirect\n0.990029 0.430238 0.632824 Mg\n0.490029 0.569762 0.867175 Mg\n0.009971 0.569762 0.367175 Mg\n0.494743 0.750000 0.593224 Mg\n0.509971 0.430238 0.132825 Mg\n0.009971 0.930238 0.367175 Mg\n0.490029 0.930238 0.867175 Mg\n0.005257 0.750000 0.093225 Mg\n0.990029 0.069762 0.632824 Mg\n0.509971 0.069762 0.132825 Mg\n0.994743 0.250000 0.906775 Mg\n0.505257 0.250000 0.406775 Mg\n0.920956 0.750000 0.780306 Si\n0.579044 0.750000 0.280306 Si\n0.079044 0.250000 0.219693 Si\n0.420956 0.250000 0.719693 Si\n0.732443 0.602621 0.208498 O\n0.232443 0.397379 0.291501 O\n0.735730 0.250000 0.220971 O\n0.767557 0.602621 0.708497 O\n0.222851 0.250000 0.073601 O\n0.232443 0.102621 0.291501 O\n0.264270 0.750000 0.779029 O\n0.267557 0.397379 0.791502 O\n0.777149 0.750000 0.926399 O\n0.767557 0.897379 0.708497 O\n0.722851 0.750000 0.426399 O\n0.277149 0.250000 0.573601 O\n0.235730 0.750000 0.279029 O\n0.267557 0.102621 0.791502 O\n0.732443 0.897379 0.208498 O\n0.764270 0.250000 0.720971 O\n0.772624 0.084685 0.466803 F\n0.272624 0.915315 0.033197 F\n0.227376 0.584685 0.533197 F\n0.727376 0.084685 0.966802 F\n0.727376 0.415315 0.966802 F\n0.772624 0.415315 0.466803 F\n0.227376 0.915315 0.533197 F\n0.272624 0.584685 0.033197 F\n",
"nsites": 40,
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{
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"created_at": "2022-09-04T14:37:58.135011Z",
"updated_at": "2022-09-04T14:37:58.135038Z",
"structure_string": "Cu3 N1\n1.0\n3.502940 -0.000000 -0.000000\n0.000000 3.502940 -0.000000\n-0.000000 -0.000000 3.502940\nCu N\n3 1\ndirect\n0.500000 0.500000 0.000000 Cu\n0.500000 0.000000 0.500000 Cu\n0.000000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 N\n",
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},
{
"id": "jvasp-93794",
"created_at": "2022-09-04T14:36:02.686607Z",
"updated_at": "2022-09-04T14:36:02.686642Z",
"structure_string": "Na2 Ti1 O3\n1.0\n0.000000 -0.000000 -3.013802\n-0.000000 -4.228229 0.000000\n-5.059625 2.114115 1.506900\nNa Ti O\n2 1 3\ndirect\n0.677323 0.677324 0.354647 Na\n0.322677 0.322677 0.645353 Na\n0.000000 0.000000 0.000000 Ti\n0.629954 0.129954 0.259908 O\n0.370046 0.870047 0.740093 O\n0.000000 0.500000 0.000000 O\n",
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},
{
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"created_at": "2022-09-04T14:37:32.497058Z",
"updated_at": "2022-09-04T14:37:32.497094Z",
"structure_string": "Mg1 Co3 C1\n1.0\n3.773580 0.000000 0.000000\n0.000000 3.773580 0.000000\n-0.000000 -0.000000 3.773580\nMg Co C\n1 3 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Co\n0.500000 0.000000 0.500000 Co\n0.500000 0.500000 0.000000 Co\n0.500000 0.500000 0.500000 C\n",
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],
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},
{
"id": "jvasp-114254",
"created_at": "2022-09-04T14:38:40.271125Z",
"updated_at": "2022-09-04T14:38:40.271144Z",
"structure_string": "Cu1 N1 O2\n1.0\n3.106878 -2.394586 0.727895\n3.106878 2.394586 0.727895\n0.605001 0.000000 3.031093\nCu N O\n1 1 2\ndirect\n0.013534 -0.013533 0.500000 Cu\n0.601642 0.398360 -0.000002 N\n0.263474 0.378589 0.196670 O\n0.621413 0.736528 0.803326 O\n",
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{
"id": "jvasp-62691",
"created_at": "2022-09-04T14:36:11.039293Z",
"updated_at": "2022-09-04T14:36:11.039319Z",
"structure_string": "Li2 B2\n1.0\n5.393429 -1.527266 -0.004295\n5.393429 1.527266 -0.004295\n4.963031 -0.000000 2.605757\nLi B\n2 2\ndirect\n0.914881 0.914881 0.914888 Li\n0.085116 0.085116 0.085117 Li\n0.666755 0.666755 0.666760 B\n0.333243 0.333243 0.333245 B\n",
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}
]
}