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{
"id": "jvasp-8188",
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{
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"structure_string": "Si6 N8\n1.0\n4.776644 0.000000 2.757796\n1.592215 4.503463 2.757796\n-0.000000 -0.000000 5.515594\nSi N\n6 8\ndirect\n0.500000 0.000000 0.500000 Si\n0.000001 0.500000 0.500000 Si\n0.500000 0.500000 0.000001 Si\n0.500000 0.500000 0.500000 Si\n0.125000 0.125000 0.125000 Si\n0.875000 0.874999 0.875001 Si\n0.742564 0.742563 0.742564 N\n0.257437 0.257436 0.727689 N\n0.257437 0.727689 0.257437 N\n0.727689 0.257436 0.257437 N\n0.742563 0.272311 0.742564 N\n0.272311 0.742563 0.742563 N\n0.257437 0.257436 0.257437 N\n0.742564 0.742563 0.272312 N\n",
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{
"id": "jvasp-10793",
"created_at": "2022-09-04T14:38:04.699008Z",
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"structure_string": "Si6 N8\n1.0\n5.304431 0.000000 -1.875399\n-2.652215 4.593771 -1.875399\n0.000000 0.000000 5.626198\nSi N\n6 8\ndirect\n0.750000 0.375000 0.625000 Si\n0.125001 0.875000 0.250000 Si\n0.375000 0.625000 0.750000 Si\n0.625001 0.750000 0.375000 Si\n0.875000 0.250000 0.125000 Si\n0.250000 0.125000 0.875000 Si\n0.062376 0.062376 0.062376 N\n0.937624 0.500000 -0.000000 N\n0.500000 -0.000000 0.937624 N\n0.000001 0.937624 0.500000 N\n0.500000 -0.000000 0.437624 N\n0.000000 0.437624 0.500000 N\n0.562376 0.562376 0.562376 N\n0.437624 0.500000 -0.000000 N\n",
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"volume": 137.0954868834447,
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},
{
"id": "jvasp-9180",
"created_at": "2022-09-04T14:36:32.280793Z",
"updated_at": "2022-09-04T14:36:32.280810Z",
"structure_string": "Si6 N8\n1.0\n3.832956 -6.638874 0.000000\n3.832956 6.638874 0.000000\n0.000000 0.000000 2.931329\nSi N\n6 8\ndirect\n0.174711 0.768689 0.250000 Si\n0.768690 0.593980 0.750000 Si\n0.406021 0.174710 0.750000 Si\n0.593980 0.825291 0.250000 Si\n0.231312 0.406021 0.250000 Si\n0.825291 0.231312 0.750000 Si\n0.333334 0.666667 0.250000 N\n0.666667 0.333334 0.750000 N\n0.330221 0.030656 0.250000 N\n0.030656 0.700433 0.750000 N\n0.299567 0.330222 0.750000 N\n0.700434 0.669779 0.250000 N\n0.669780 0.969345 0.750000 N\n0.969345 0.299568 0.250000 N\n",
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"density": 3.122929976768801,
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"volume": 149.18419674756186,
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"formula_full": "Si6 N8",
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"spacegroup": 176
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{
"id": "jvasp-34330",
"created_at": "2022-09-04T14:36:38.554894Z",
"updated_at": "2022-09-04T14:36:38.554922Z",
"structure_string": "Si6 O12\n1.0\n3.684019 -6.380908 -0.000000\n3.684019 6.380908 0.000000\n0.000000 0.000000 7.072515\nSi O\n6 12\ndirect\n0.766943 0.533885 0.250000 Si\n0.233057 0.466116 0.750000 Si\n0.766943 0.233057 0.583333 Si\n0.533885 0.766943 0.416667 Si\n0.233057 0.766943 0.083333 Si\n0.466116 0.233057 0.916666 Si\n0.612396 0.387604 0.083333 O\n0.683061 -0.000000 0.500000 O\n0.316939 0.316939 0.833332 O\n0.612396 0.224793 0.750000 O\n0.387604 0.612396 0.583333 O\n0.387604 0.775207 0.250000 O\n-0.000000 0.683061 0.166667 O\n0.775207 0.387604 0.416667 O\n0.316939 -0.000000 0.000000 O\n0.224793 0.612396 0.916666 O\n-0.000000 0.316939 0.666667 O\n0.683061 0.683061 0.333333 O\n",
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"elements": [
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{
"id": "jvasp-22614",
"created_at": "2022-09-04T14:37:58.245264Z",
"updated_at": "2022-09-04T14:37:58.245288Z",
"structure_string": "Si6 O12\n1.0\n7.052401 -0.081213 -2.711535\n-3.923082 5.861091 -2.711535\n-0.043970 -0.081213 7.555585\nSi O\n6 12\ndirect\n0.202114 0.724790 0.925494 Si\n0.724790 0.925494 0.202114 Si\n0.797887 0.275211 0.074507 Si\n0.275211 0.074507 0.797887 Si\n0.925494 0.202114 0.724790 Si\n0.074506 0.797887 0.275211 Si\n0.760722 -0.004720 0.449852 O\n0.216279 0.852678 0.162258 O\n0.147322 0.837743 0.783721 O\n0.162257 0.216280 0.852678 O\n0.837743 0.783721 0.147323 O\n-0.004721 0.449852 0.760722 O\n0.449852 0.760722 -0.004720 O\n0.239279 0.004721 0.550148 O\n0.852678 0.162257 0.216280 O\n0.550148 0.239279 0.004722 O\n0.783721 0.147323 0.837744 O\n0.004721 0.550148 0.239279 O\n",
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},
{
"id": "jvasp-91213",
"created_at": "2022-09-04T14:36:07.076526Z",
"updated_at": "2022-09-04T14:36:07.076544Z",
"structure_string": "Si6 O12\n1.0\n4.577211 -0.000000 1.611295\n1.817332 6.777340 2.144396\n-0.016873 0.047090 7.354828\nSi O\n6 12\ndirect\n0.037145 0.750000 0.250001 Si\n0.904498 0.818642 0.848713 Si\n0.571852 0.681358 0.651290 Si\n0.095501 0.181358 0.151289 Si\n0.428148 0.318642 0.348712 Si\n0.962855 0.250000 0.750001 Si\n0.732839 0.785681 0.430471 O\n0.948990 0.714319 0.069531 O\n0.371232 0.239547 0.181238 O\n0.705041 0.442565 0.680356 O\n0.207984 0.739547 0.681238 O\n0.051010 0.285681 0.930470 O\n0.267161 0.214319 0.569530 O\n0.172038 0.942565 0.180356 O\n0.294959 0.557435 0.319645 O\n0.827962 0.057435 0.819645 O\n0.628768 0.760453 0.818764 O\n0.792016 0.260453 0.318763 O\n",
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},
{
"id": "jvasp-51521",
"created_at": "2022-09-04T14:37:32.331544Z",
"updated_at": "2022-09-04T14:37:32.331576Z",
"structure_string": "Si6 O12\n1.0\n6.003187 0.118740 -2.650777\n-4.102345 4.384417 -2.650777\n0.050122 0.118740 6.562193\nSi O\n6 12\ndirect\n0.250000 0.077345 0.422655 Si\n0.750000 0.922656 0.577344 Si\n0.922656 0.577345 0.749999 Si\n0.422656 0.250000 0.077344 Si\n0.077344 0.422656 0.250000 Si\n0.577344 0.750001 0.922655 Si\n-0.000000 0.500000 -0.000000 O\n0.871533 0.750001 0.628466 O\n0.628467 0.871534 0.749999 O\n0.250000 0.371534 0.128466 O\n0.128467 0.250000 0.371533 O\n0.371533 0.128467 0.250000 O\n0.500000 0.000000 -0.000000 O\n0.750000 0.628467 0.871533 O\n-0.000000 0.500000 0.500000 O\n0.500000 0.500000 -0.000000 O\n0.500000 0.000000 0.500000 O\n-0.000000 0.000000 0.500000 O\n",
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"volume": 179.66406015204205,
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{
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"created_at": "2022-09-04T14:37:07.673775Z",
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"structure_string": "Si6 O12\n1.0\n8.537085 0.005748 -4.415405\n-7.256053 4.497947 -4.415405\n0.001635 0.005748 9.611327\nSi O\n6 12\ndirect\n0.817389 0.682613 0.250002 Si\n0.182612 0.317389 0.750001 Si\n0.250001 0.817390 0.682613 Si\n0.750000 0.182612 0.317389 Si\n0.682612 0.250001 0.817390 Si\n0.317389 0.750001 0.182613 Si\n-0.000000 0.000000 0.500000 O\n0.750000 0.489677 0.010325 O\n0.510325 0.989677 0.250002 O\n0.500000 0.000000 0.000000 O\n0.250000 0.510325 0.989677 O\n0.010325 0.750001 0.489677 O\n0.489676 0.010325 0.750001 O\n0.000001 0.500000 0.000001 O\n0.989676 0.250001 0.510325 O\n0.000000 0.500001 0.500001 O\n0.500000 0.000001 0.500001 O\n0.500000 0.500001 0.000001 O\n",
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{
"id": "jvasp-57511",
"created_at": "2022-09-04T14:37:18.963105Z",
"updated_at": "2022-09-04T14:37:18.963133Z",
"structure_string": "Si6 O12\n1.0\n7.667520 -0.005544 -3.770113\n-6.053468 4.705998 -3.770113\n-0.001904 -0.005545 8.544273\nSi O\n6 12\ndirect\n0.805878 0.805878 0.184593 Si\n0.194123 0.815409 0.194124 Si\n0.184593 0.805878 0.805878 Si\n0.815409 0.194124 0.194124 Si\n0.805879 0.184594 0.805879 Si\n0.194124 0.194124 0.815409 Si\n0.500001 0.000001 0.500001 O\n0.000000 0.822637 0.177366 O\n0.000001 0.000001 0.500000 O\n0.822637 0.000001 0.177366 O\n0.000000 0.500000 0.000000 O\n0.177365 0.822636 0.000001 O\n0.822637 0.177366 0.000001 O\n0.177366 0.000001 0.822637 O\n0.000001 0.500001 0.500001 O\n0.000001 0.177366 0.822637 O\n0.500000 0.500001 0.000001 O\n0.500000 0.000000 0.000000 O\n",
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{
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"created_at": "2022-09-04T14:37:10.951587Z",
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"structure_string": "Si6 O12\n1.0\n6.038877 0.136954 0.059612\n0.060363 6.040128 0.059612\n0.135227 0.136954 6.037657\nSi O\n6 12\ndirect\n0.252652 0.504342 0.889573 Si\n0.504343 0.889573 0.252651 Si\n0.495658 0.110426 0.747349 Si\n0.889573 0.252651 0.504343 Si\n0.110427 0.747348 0.495657 Si\n0.747349 0.495657 0.110427 Si\n-0.000000 0.500000 0.500000 O\n0.751449 0.273682 0.272847 O\n0.500001 -0.000001 0.500000 O\n0.727153 0.248550 0.726318 O\n0.500000 -0.000000 -0.000000 O\n0.273683 0.272847 0.751449 O\n-0.000000 0.500000 -0.000000 O\n0.000000 -0.000000 0.500000 O\n0.726318 0.727152 0.248551 O\n0.248551 0.726317 0.727153 O\n0.272847 0.751449 0.273682 O\n0.500000 0.500000 -0.000000 O\n",
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{
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"created_at": "2022-09-04T14:36:46.734248Z",
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"structure_string": "Si6 O12\n1.0\n4.615528 -7.994330 -0.000000\n4.615528 7.994330 0.000000\n-0.000000 0.000000 5.268412\nSi O\n6 12\ndirect\n0.558305 0.116610 0.750000 Si\n0.116610 0.558305 0.250000 Si\n0.441695 0.558305 0.250000 Si\n0.441695 0.883390 0.250000 Si\n0.558305 0.441695 0.750000 Si\n0.883390 0.441695 0.750000 Si\n0.524357 0.762179 0.250000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.475643 0.237822 0.750000 O\n0.762179 0.524357 0.750000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.000000 0.000000 O\n0.237822 0.762179 0.250000 O\n0.762179 0.237822 0.750000 O\n0.237822 0.475643 0.250000 O\n0.500000 0.500000 0.000000 O\n",
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}
]
}