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{
"id": "jvasp-12904",
"created_at": "2022-09-04T14:38:14.147487Z",
"updated_at": "2022-09-04T14:38:14.147496Z",
"structure_string": "Ge2 H6 Cl2\n1.0\n4.463010 0.004778 0.000000\n-1.093428 4.326997 -0.000000\n0.000000 0.000000 8.274099\nGe H Cl\n2 6 2\ndirect\n0.558701 0.558701 0.952912 Ge\n0.441299 0.441300 0.452912 Ge\n0.198207 0.564018 0.544612 H\n0.801793 0.435983 0.044612 H\n0.435982 0.801794 0.044612 H\n0.564018 0.198207 0.544612 H\n0.686270 0.686271 0.364581 H\n0.313730 0.313730 0.864581 H\n0.830981 0.830983 0.750451 Cl\n0.169018 0.169019 0.250451 Cl\n",
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{
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{
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"structure_string": "Pa1 Hg1 O3\n1.0\n4.365834 -0.000000 0.000000\n0.000000 4.365834 0.000000\n-0.000000 -0.000000 4.365834\nPa Hg O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Pa\n0.000000 0.000000 0.000000 Hg\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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{
"id": "jvasp-55691",
"created_at": "2022-09-04T14:38:10.489188Z",
"updated_at": "2022-09-04T14:38:10.489207Z",
"structure_string": "Na4 Mg4 H12\n1.0\n5.342049 0.000000 0.000000\n0.000000 5.429977 0.000000\n0.000000 0.000000 7.627233\nNa Mg H\n4 4 12\ndirect\n0.005798 0.031868 0.250000 Na\n0.494202 0.531869 0.250000 Na\n0.505798 0.468132 0.750000 Na\n0.994202 0.968132 0.750000 Na\n0.000000 0.500000 0.500000 Mg\n0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.795542 0.206017 0.543052 H\n0.417377 0.025945 0.750000 H\n0.704459 0.706017 0.956947 H\n0.704459 0.706017 0.543052 H\n0.295541 0.293984 0.043052 H\n0.295541 0.293984 0.456947 H\n0.582623 0.974055 0.250000 H\n0.795542 0.206017 0.956947 H\n0.082623 0.525946 0.750000 H\n0.204459 0.793984 0.043052 H\n0.917377 0.474055 0.250000 H\n0.204459 0.793984 0.456947 H\n",
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"density": 1.5106528512056245,
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{
"id": "jvasp-32288",
"created_at": "2022-09-04T14:38:14.363296Z",
"updated_at": "2022-09-04T14:38:14.363317Z",
"structure_string": "Mn4 In4 Br12\n1.0\n3.977388 -0.000000 0.000000\n-0.000000 9.407728 0.000000\n0.000000 0.000000 15.192404\nMn In Br\n4 4 12\ndirect\n0.250000 0.662185 0.056632 Mn\n0.750000 0.337815 0.943368 Mn\n0.250000 0.162185 0.443368 Mn\n0.750000 0.837815 0.556632 Mn\n0.750000 0.050064 0.175564 In\n0.250000 0.949936 0.824436 In\n0.250000 0.449936 0.675564 In\n0.750000 0.550064 0.324436 In\n0.750000 0.327224 0.503720 Br\n0.750000 0.476014 0.102713 Br\n0.750000 0.827224 0.996279 Br\n0.250000 0.172776 0.003720 Br\n0.750000 0.722217 0.710853 Br\n0.250000 0.277783 0.289146 Br\n0.750000 0.222217 0.789146 Br\n0.250000 0.777783 0.210853 Br\n0.250000 0.023986 0.602713 Br\n0.750000 0.976014 0.397287 Br\n0.250000 0.523986 0.897287 Br\n0.250000 0.672777 0.496279 Br\n",
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{
"id": "jvasp-59126",
"created_at": "2022-09-04T14:38:14.347240Z",
"updated_at": "2022-09-04T14:38:14.347267Z",
"structure_string": "K4 Au4 I12\n1.0\n0.000000 7.175609 0.023096\n9.335499 0.000000 0.000000\n0.000000 -6.699825 -11.458753\nK Au I\n4 4 12\ndirect\n0.182097 0.119475 0.747814 K\n0.817901 0.619475 0.752185 K\n0.817902 0.880525 0.252185 K\n0.182098 0.380525 0.247815 K\n0.500000 0.500000 -0.000000 Au\n0.499999 0.000000 0.500000 Au\n-0.000000 0.500000 0.500000 Au\n0.000000 0.000000 0.000000 Au\n0.839514 0.662026 0.035648 I\n0.160485 0.162026 0.464352 I\n0.348060 0.504735 0.764889 I\n0.651938 0.004735 0.735110 I\n0.651939 0.495266 0.235110 I\n0.265576 0.654539 0.462042 I\n0.734423 0.345461 0.537958 I\n0.265576 0.845461 0.962042 I\n0.839513 0.837974 0.535648 I\n0.734423 0.154539 0.037958 I\n0.348061 0.995266 0.264889 I\n0.160485 0.337974 0.964352 I\n",
"nsites": 20,
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{
"id": "jvasp-17854",
"created_at": "2022-09-04T14:38:14.338900Z",
"updated_at": "2022-09-04T14:38:14.338937Z",
"structure_string": "Mn3 Sn1 C1\n1.0\n3.894516 -0.000000 0.000000\n-0.000000 3.894516 -0.000000\n0.000000 -0.000000 3.894516\nMn Sn C\n3 1 1\ndirect\n0.000000 0.500001 0.500001 Mn\n0.500001 0.500001 0.000000 Mn\n0.500001 0.000000 0.500001 Mn\n0.000000 0.000000 0.000000 Sn\n0.500001 0.500001 0.500001 C\n",
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{
"id": "jvasp-46006",
"created_at": "2022-09-04T14:38:04.267418Z",
"updated_at": "2022-09-04T14:38:04.267430Z",
"structure_string": "Ba2 S2 O6\n1.0\n0.000000 4.681026 -0.045816\n5.524386 0.000000 0.000000\n0.000000 -1.885238 -6.367633\nBa S O\n2 2 6\ndirect\n0.658208 0.250000 0.274385 Ba\n0.341793 0.750001 0.725615 Ba\n0.922897 0.250000 0.826663 S\n0.077103 0.750001 0.173337 S\n0.735076 0.750001 0.130401 O\n0.819627 0.470030 0.682251 O\n0.819627 0.029970 0.682251 O\n0.180373 0.970031 0.317749 O\n0.180373 0.529970 0.317749 O\n0.264924 0.250000 0.869599 O\n",
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{
"id": "jvasp-47086",
"created_at": "2022-09-04T14:38:10.438589Z",
"updated_at": "2022-09-04T14:38:10.438616Z",
"structure_string": "Li2 V2 F6\n1.0\n2.855204 -4.945358 -0.000000\n2.855204 4.945358 -0.000000\n-0.000000 -0.000000 5.846050\nLi V F\n2 2 6\ndirect\n0.666666 0.333332 0.750000 Li\n0.333332 0.666666 0.250000 Li\n0.000000 0.000000 0.000000 V\n0.000000 0.000000 0.500000 V\n0.847807 0.695615 0.750000 F\n0.304384 0.152192 0.750000 F\n0.152191 0.847807 0.250000 F\n0.847807 0.152191 0.750000 F\n0.695615 0.847807 0.250000 F\n0.152192 0.304384 0.250000 F\n",
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{
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"created_at": "2022-09-04T14:38:04.299440Z",
"updated_at": "2022-09-04T14:38:04.299456Z",
"structure_string": "Nb4 Se4 Cl12\n1.0\n6.191459 0.000000 -0.961761\n0.000000 6.733385 0.000000\n-0.001336 0.000000 12.039999\nNb Se Cl\n4 4 12\ndirect\n0.073921 0.354599 0.145600 Nb\n0.073920 0.645402 0.645600 Nb\n0.926079 0.354599 0.354400 Nb\n0.926079 0.645402 0.854400 Nb\n0.174201 0.068743 0.302246 Se\n0.825799 0.068743 0.197754 Se\n0.174201 0.931258 0.802246 Se\n0.825798 0.931258 0.697754 Se\n0.747117 0.551595 0.195334 Cl\n0.841537 0.320203 0.955385 Cl\n0.747117 0.448406 0.695334 Cl\n0.841538 0.679798 0.455385 Cl\n0.361856 0.794517 0.567029 Cl\n0.638144 0.794517 0.932972 Cl\n0.158462 0.679798 0.044615 Cl\n0.252883 0.448406 0.804666 Cl\n0.361856 0.205484 0.067029 Cl\n0.638144 0.205484 0.432972 Cl\n0.252883 0.551595 0.304666 Cl\n0.158462 0.320203 0.544615 Cl\n",
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{
"id": "jvasp-11119",
"created_at": "2022-09-04T14:38:11.057966Z",
"updated_at": "2022-09-04T14:38:11.057991Z",
"structure_string": "Zn2 Sn2 O6\n1.0\n4.696533 -0.007380 3.109257\n1.666651 4.390872 3.109257\n-0.010713 -0.007380 5.632477\nZn Sn O\n2 2 6\ndirect\n0.282348 0.282348 0.282348 Zn\n0.782348 0.782347 0.782349 Zn\n0.002275 0.002275 0.002275 Sn\n0.502274 0.502274 0.502276 Sn\n0.606861 0.213447 0.893670 O\n0.213447 0.893668 0.606862 O\n0.893668 0.606860 0.213449 O\n0.393668 0.713447 0.106862 O\n0.106861 0.393668 0.713448 O\n0.713447 0.106861 0.393670 O\n",
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{
"id": "jvasp-21258",
"created_at": "2022-09-04T14:38:10.358401Z",
"updated_at": "2022-09-04T14:38:10.358429Z",
"structure_string": "Li4 Sb4 O12\n1.0\n4.902322 0.000000 0.000000\n0.000000 5.246696 0.000000\n0.000000 0.000000 8.632335\nLi Sb O\n4 4 12\ndirect\n0.000000 0.750001 0.691571 Li\n0.500000 0.750001 0.808430 Li\n0.000000 0.250000 0.308429 Li\n0.500000 0.250000 0.191571 Li\n0.000000 0.750001 0.094757 Sb\n0.500000 0.250000 0.594757 Sb\n0.000000 0.250000 0.905244 Sb\n0.500000 0.750001 0.405244 Sb\n0.289742 0.424198 0.419020 O\n0.210258 0.424198 0.080981 O\n0.750000 0.086230 0.750000 O\n0.789742 0.075802 0.080981 O\n0.250000 0.913771 0.250000 O\n0.789742 0.575803 0.919020 O\n0.250000 0.413770 0.750000 O\n0.289742 0.924198 0.580981 O\n0.710258 0.075802 0.419020 O\n0.710258 0.575803 0.580981 O\n0.750000 0.586230 0.250000 O\n0.210258 0.924198 0.919020 O\n",
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}
]
}