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{
"id": "jvasp-57459",
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"updated_at": "2022-09-04T14:38:35.722886Z",
"structure_string": "Cd4 Bi4 S8 Cl4\n1.0\n4.015101 0.000000 0.000000\n0.000000 9.493691 0.000000\n0.000000 0.000000 12.703806\nCd Bi S Cl\n4 4 8 4\ndirect\n0.750000 0.496537 0.738300 Cd\n0.250000 0.503462 0.261700 Cd\n0.750000 0.996537 0.761700 Cd\n0.250000 0.003463 0.238300 Cd\n0.250000 0.300467 0.976289 Bi\n0.250000 0.800467 0.523712 Bi\n0.750000 0.199533 0.476289 Bi\n0.750000 0.699533 0.023712 Bi\n0.250000 0.748080 0.167928 S\n0.250000 0.553929 0.889103 S\n0.750000 0.446070 0.110897 S\n0.750000 0.751920 0.667928 S\n0.250000 0.248080 0.332073 S\n0.750000 0.946070 0.389103 S\n0.750000 0.251920 0.832073 S\n0.250000 0.053930 0.610897 S\n0.250000 0.427548 0.604142 Cl\n0.750000 0.572452 0.395858 Cl\n0.750000 0.072452 0.104142 Cl\n0.250000 0.927548 0.895859 Cl\n",
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{
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"updated_at": "2022-09-04T14:38:35.254158Z",
"structure_string": "Sr4 Mg4 Ge4\n1.0\n4.601851 -0.000000 0.000000\n0.000000 7.823501 0.000000\n0.000000 0.000000 8.586106\nSr Mg Ge\n4 4 4\ndirect\n0.250000 0.015747 0.183137 Sr\n0.250000 0.515747 0.316863 Sr\n0.750000 0.484253 0.683137 Sr\n0.750000 0.984253 0.816863 Sr\n0.750000 0.357146 0.063144 Mg\n0.250000 0.642854 0.936856 Mg\n0.750000 0.857146 0.436856 Mg\n0.250000 0.142854 0.563145 Mg\n0.750000 0.221189 0.390249 Ge\n0.250000 0.278811 0.890249 Ge\n0.250000 0.778810 0.609751 Ge\n0.750000 0.721189 0.109751 Ge\n",
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{
"id": "jvasp-21601",
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"updated_at": "2022-09-04T14:38:35.247096Z",
"structure_string": "Nb4 Si4 Pt4\n1.0\n3.868691 -0.000000 0.000000\n0.000000 6.506230 0.000000\n0.000000 0.000000 7.443404\nNb Si Pt\n4 4 4\ndirect\n0.750000 0.473879 0.335582 Nb\n0.250000 0.026121 0.835582 Nb\n0.750000 0.973879 0.164417 Nb\n0.250000 0.526121 0.664417 Nb\n0.250000 0.270189 0.124865 Si\n0.250000 0.770189 0.375135 Si\n0.750000 0.729811 0.875135 Si\n0.750000 0.229811 0.624865 Si\n0.250000 0.652889 0.067034 Pt\n0.250000 0.152889 0.432966 Pt\n0.750000 0.847111 0.567033 Pt\n0.750000 0.347111 0.932966 Pt\n",
"nsites": 12,
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"elements": [
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{
"id": "jvasp-21669",
"created_at": "2022-09-04T14:38:35.237685Z",
"updated_at": "2022-09-04T14:38:35.237709Z",
"structure_string": "Ca4 Ag4 Sb4\n1.0\n4.588595 0.000000 0.000000\n0.000000 7.687705 0.000000\n0.000000 0.000000 8.493744\nCa Ag Sb\n4 4 4\ndirect\n0.749999 0.476903 0.805336 Ca\n0.250000 0.523096 0.194663 Ca\n0.250000 0.023097 0.305337 Ca\n0.749999 0.976903 0.694663 Ca\n0.749999 0.859776 0.064209 Ag\n0.749999 0.359777 0.435791 Ag\n0.250000 0.140223 0.935791 Ag\n0.250000 0.640223 0.564209 Ag\n0.749999 0.745703 0.385319 Sb\n0.250000 0.254296 0.614681 Sb\n0.749999 0.245704 0.114681 Sb\n0.250000 0.754296 0.885319 Sb\n",
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{
"id": "jvasp-36933",
"created_at": "2022-09-04T14:38:35.183031Z",
"updated_at": "2022-09-04T14:38:35.183057Z",
"structure_string": "Ba4 Hf4 S12\n1.0\n3.869058 0.000000 0.000000\n-0.000000 8.718955 0.000000\n0.000000 0.000000 14.444372\nBa Hf S\n4 4 12\ndirect\n0.750000 0.068077 0.325961 Ba\n0.250000 0.931923 0.674039 Ba\n0.750000 0.568077 0.174039 Ba\n0.250000 0.431923 0.825961 Ba\n0.250000 0.163174 0.059381 Hf\n0.750000 0.836827 0.940619 Hf\n0.250000 0.663174 0.440619 Hf\n0.750000 0.336826 0.559381 Hf\n0.750000 0.715550 0.789304 S\n0.250000 0.284450 0.210696 S\n0.750000 0.476696 0.396903 S\n0.250000 0.523305 0.603097 S\n0.750000 0.976696 0.103097 S\n0.250000 0.672555 0.003816 S\n0.250000 0.172555 0.496184 S\n0.750000 0.827445 0.503816 S\n0.250000 0.784450 0.289304 S\n0.750000 0.327445 0.996183 S\n0.250000 0.023305 0.896903 S\n0.750000 0.215550 0.710696 S\n",
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{
"id": "jvasp-56604",
"created_at": "2022-09-04T14:38:35.165359Z",
"updated_at": "2022-09-04T14:38:35.165387Z",
"structure_string": "Ba4 Au4\n1.0\n5.086259 -0.000000 0.000000\n-0.000000 6.387087 0.000000\n0.000000 0.000000 8.270109\nBa Au\n4 4\ndirect\n0.250000 0.855448 0.686733 Ba\n0.250000 0.644552 0.186733 Ba\n0.750000 0.144552 0.313267 Ba\n0.750000 0.355448 0.813267 Ba\n0.250000 0.351676 0.539921 Au\n0.750000 0.851676 0.960080 Au\n0.250000 0.148325 0.039921 Au\n0.750000 0.648325 0.460079 Au\n",
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"volume": 268.6658931746803,
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},
{
"id": "jvasp-56683",
"created_at": "2022-09-04T14:38:35.120498Z",
"updated_at": "2022-09-04T14:38:35.120515Z",
"structure_string": "V4 Cd4 O12\n1.0\n3.608652 0.000000 0.000000\n-0.000000 5.293657 0.000000\n0.000000 0.000000 14.380463\nV Cd O\n4 4 12\ndirect\n0.749999 0.581609 0.418859 V\n0.749999 0.918392 0.918859 V\n0.250000 0.418392 0.581141 V\n0.250000 0.081609 0.081141 V\n0.749999 0.624489 0.178665 Cd\n0.250000 0.124489 0.321335 Cd\n0.250000 0.375511 0.821335 Cd\n0.749999 0.875512 0.678665 Cd\n0.250000 0.106729 0.609395 O\n0.250000 0.610257 0.692183 O\n0.250000 0.034726 0.944406 O\n0.250000 0.393271 0.109395 O\n0.749999 0.110257 0.807817 O\n0.749999 0.893271 0.390605 O\n0.749999 0.965275 0.055594 O\n0.749999 0.534726 0.555594 O\n0.749999 0.389744 0.307817 O\n0.250000 0.889744 0.192183 O\n0.250000 0.465275 0.444406 O\n0.749999 0.606729 0.890605 O\n",
"nsites": 20,
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{
"id": "jvasp-55206",
"created_at": "2022-09-04T14:38:35.117122Z",
"updated_at": "2022-09-04T14:38:35.117157Z",
"structure_string": "Yb8 In4\n1.0\n5.264646 0.000000 0.000000\n0.000000 6.949438 0.000000\n0.000000 0.000000 9.738334\nYb In\n8 4\ndirect\n0.250000 0.967801 0.291284 Yb\n0.750001 0.032200 0.708716 Yb\n0.750001 0.682262 0.430665 Yb\n0.250000 0.817739 0.930665 Yb\n0.250000 0.467800 0.208716 Yb\n0.750001 0.182261 0.069334 Yb\n0.250000 0.317739 0.569334 Yb\n0.750001 0.532200 0.791284 Yb\n0.750001 0.219602 0.394146 In\n0.250000 0.780398 0.605853 In\n0.750001 0.719602 0.105853 In\n0.250000 0.280398 0.894146 In\n",
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{
"id": "jvasp-30687",
"created_at": "2022-09-04T14:38:35.150879Z",
"updated_at": "2022-09-04T14:38:35.150902Z",
"structure_string": "Sb8 O16\n1.0\n3.212677 -0.000002 -0.000001\n-0.000003 11.245354 -0.006847\n-0.000002 -0.008491 10.651384\nSb O\n8 16\ndirect\n0.250000 0.385352 0.068910 Sb\n0.750001 0.114748 0.568654 Sb\n0.250001 0.885402 0.430685 Sb\n0.750002 0.614798 0.931751 Sb\n0.750000 0.522351 0.366146 Sb\n0.250001 0.477550 0.634648 Sb\n0.750001 0.022500 0.133897 Sb\n0.250002 0.977401 0.865306 Sb\n0.250000 0.123390 0.172580 O\n0.750001 0.876509 0.826617 O\n0.750001 0.930108 0.557296 O\n0.250001 0.070051 0.442021 O\n0.750001 0.430148 0.942471 O\n0.250001 0.570012 0.058210 O\n0.750000 0.421707 0.217303 O\n0.750001 0.581030 0.552215 O\n0.750001 0.921846 0.282431 O\n0.250001 0.078172 0.716853 O\n0.250001 0.623224 0.327701 O\n0.250000 0.418842 0.448561 O\n0.750001 0.080982 0.947955 O\n0.250000 0.918891 0.051269 O\n0.250000 0.578311 0.783413 O\n0.750000 0.376675 0.673102 O\n",
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{
"id": "jvasp-59138",
"created_at": "2022-09-04T14:38:35.074065Z",
"updated_at": "2022-09-04T14:38:35.074081Z",
"structure_string": "Sm4 Sc4 O12\n1.0\n5.533312 -0.000000 0.000000\n0.000000 5.802853 0.000000\n0.000000 0.000000 7.994995\nSm Sc O\n4 4 12\ndirect\n0.017353 0.939243 0.250000 Sm\n0.517353 0.560756 0.750000 Sm\n0.482646 0.439244 0.250000 Sm\n0.982646 0.060756 0.750000 Sm\n0.000000 0.500000 0.000000 Sc\n0.500000 0.000000 0.000000 Sc\n0.500000 0.000000 0.500000 Sc\n0.000000 0.500000 0.500000 Sc\n0.805538 0.803227 0.938658 O\n0.305538 0.696772 0.061343 O\n0.305538 0.696772 0.438657 O\n0.805538 0.803227 0.561343 O\n0.194462 0.196773 0.061343 O\n0.382658 0.953905 0.750000 O\n0.117342 0.453905 0.750000 O\n0.617342 0.046095 0.250000 O\n0.194462 0.196773 0.438657 O\n0.882658 0.546094 0.250000 O\n0.694462 0.303227 0.938658 O\n0.694462 0.303227 0.561343 O\n",
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{
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"created_at": "2022-09-04T14:38:35.049112Z",
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{
"id": "jvasp-57282",
"created_at": "2022-09-04T14:38:35.003436Z",
"updated_at": "2022-09-04T14:38:35.003461Z",
"structure_string": "Sn4 O8\n1.0\n3.558582 -0.000000 0.000000\n0.000000 5.298240 0.000000\n0.000000 0.000000 7.243222\nSn O\n4 8\ndirect\n0.250000 0.765778 0.584580 Sn\n0.750000 0.234222 0.415419 Sn\n0.750000 0.734222 0.084581 Sn\n0.250000 0.265778 0.915419 Sn\n0.750000 0.473452 0.865350 O\n0.750000 0.618340 0.387391 O\n0.250000 0.526548 0.134650 O\n0.250000 0.381660 0.612609 O\n0.250000 0.026548 0.365350 O\n0.250000 0.881660 0.887391 O\n0.750000 0.118340 0.112609 O\n0.750000 0.973452 0.634650 O\n",
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]
}