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{
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{
"id": "jvasp-34650",
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"structure_string": "Si4 O8\n1.0\n-5.179253 -0.004868 0.091283\n0.682957 5.488951 -0.097670\n0.044482 -2.205989 -6.071411\nSi O\n4 8\ndirect\n0.684892 0.769790 0.748565 Si\n0.947018 0.301885 0.797792 Si\n0.842450 0.900592 0.351753 Si\n0.312921 0.735862 0.045275 Si\n0.952851 0.182756 0.530471 O\n0.830156 0.063196 0.879915 O\n0.758822 0.704342 0.492976 O\n0.571822 0.872396 0.208058 O\n0.075344 0.845315 0.188599 O\n0.221700 0.420607 0.949551 O\n0.377850 0.791833 0.811784 O\n0.771546 0.538900 0.831643 O\n",
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{
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"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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{
"id": "jvasp-58370",
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"structure_string": "Si4 O8\n1.0\n4.902273 0.000000 0.000000\n-2.451137 4.441455 0.000000\n0.000000 0.000000 8.163485\nSi O\n4 8\ndirect\n0.770344 0.326300 0.813108 Si\n0.444044 0.673699 0.686891 Si\n0.229654 0.673699 0.313109 Si\n0.555954 0.326300 0.186891 Si\n0.575810 0.434425 0.693845 O\n0.141385 0.565574 0.806154 O\n0.424188 0.565574 0.193846 O\n0.858613 0.434425 0.306154 O\n0.348654 0.697307 0.500000 O\n0.651345 0.302691 0.000000 O\n0.282969 0.000000 0.250000 O\n0.717031 0.000000 0.750000 O\n",
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"volume": 177.74539509494574,
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"formula_full": "Si4 O8",
"formula_reduced": "SiO2",
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},
{
"id": "jvasp-34733",
"created_at": "2022-09-04T14:37:10.729829Z",
"updated_at": "2022-09-04T14:37:10.729865Z",
"structure_string": "Si4 O8\n1.0\n4.592410 -0.000023 1.368214\n2.167217 4.467757 1.117036\n0.028292 0.165200 8.296093\nSi O\n4 8\ndirect\n0.701114 0.061882 0.313697 Si\n0.298886 0.938119 0.686302 Si\n0.923319 0.561864 0.813693 Si\n0.076681 0.438137 0.186307 Si\n0.854595 0.283815 0.320900 O\n0.459297 0.216220 0.179103 O\n0.004309 0.249992 0.749994 O\n0.995690 0.750009 0.250005 O\n0.145405 0.716186 0.679100 O\n0.540703 0.783781 0.820896 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n",
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"elements": [
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"volume": 169.68720855859257,
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"formula_full": "Si4 O8",
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"spacegroup": 15
},
{
"id": "jvasp-34219",
"created_at": "2022-09-04T14:37:14.978357Z",
"updated_at": "2022-09-04T14:37:14.978372Z",
"structure_string": "Si3 O6\n1.0\n2.468672 -4.275866 0.000000\n2.468672 4.275866 -0.000000\n0.000000 0.000000 5.449193\nSi O\n3 6\ndirect\n-0.000000 0.465518 0.333333 Si\n0.534482 0.534482 0.000000 Si\n0.465518 -0.000000 0.666667 Si\n0.137430 0.725521 0.552806 O\n0.588090 0.862569 0.886139 O\n0.274478 0.411909 0.219473 O\n0.411909 0.274478 0.780526 O\n0.862569 0.588090 0.113860 O\n0.725521 0.137430 0.447193 O\n",
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"formula_full": "Si3 O6",
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"spacegroup": 154
},
{
"id": "jvasp-34491",
"created_at": "2022-09-04T14:37:19.830923Z",
"updated_at": "2022-09-04T14:37:19.830945Z",
"structure_string": "Si8 O16\n1.0\n4.805242 0.000000 1.129147\n2.402620 7.601787 0.564574\n0.009096 0.000000 10.750546\nSi O\n8 16\ndirect\n0.886425 0.379843 0.615971 Si\n0.113575 0.620157 0.384029 Si\n0.382239 0.120157 0.884030 Si\n0.497604 0.120157 0.615971 Si\n0.617761 0.879843 0.115971 Si\n0.502396 0.879843 0.384029 Si\n0.266268 0.620157 0.115971 Si\n0.733732 0.379843 0.884030 Si\n0.500000 -0.000000 0.500000 O\n0.423012 0.750000 0.153975 O\n0.038162 0.250000 0.923676 O\n0.498729 0.002542 0.750000 O\n0.500000 0.500000 -0.000000 O\n0.826987 0.750000 0.346025 O\n0.173013 0.250000 0.653976 O\n0.248729 0.502543 0.250000 O\n0.961838 0.750000 0.076324 O\n0.501271 0.997458 0.250000 O\n0.000000 0.500000 0.500000 O\n0.711838 0.250000 0.576324 O\n0.576988 0.250000 0.846025 O\n0.288162 0.750000 0.423676 O\n0.751271 0.497458 0.750000 O\n0.500000 -0.000000 0.000000 O\n",
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"elements": [
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"density": 2.032941874673189,
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"volume": 392.6224499865881,
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"formula_full": "Si8 O16",
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"spacegroup": 70
},
{
"id": "jvasp-34484",
"created_at": "2022-09-04T14:37:19.005725Z",
"updated_at": "2022-09-04T14:37:19.005755Z",
"structure_string": "Si4 O8\n1.0\n4.526860 0.000000 1.467756\n2.263429 4.749201 0.733878\n-0.030794 -0.000000 7.809734\nSi O\n4 8\ndirect\n0.061911 0.250000 0.876178 Si\n0.311911 0.750000 0.376179 Si\n0.938090 0.750000 0.123822 Si\n0.688091 0.250000 0.623821 Si\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.000000 O\n0.500001 0.500000 0.500000 O\n0.439314 0.121374 0.750000 O\n0.810688 0.378626 0.750000 O\n0.189314 0.621374 0.250000 O\n0.560688 0.878626 0.250000 O\n",
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"density": 2.3738942345252365,
"density_atomic": 0.07137933820284396,
"volume": 168.11587641648777,
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"formula_full": "Si4 O8",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.3924652000000002,
"spacegroup": 70
},
{
"id": "jvasp-57447",
"created_at": "2022-09-04T14:38:33.464340Z",
"updated_at": "2022-09-04T14:38:33.464351Z",
"structure_string": "Si6 O12\n1.0\n4.568097 0.000105 -0.821579\n-0.332101 4.695044 -1.845923\n-0.009359 -0.030966 6.846603\nSi O\n6 12\ndirect\n0.670742 0.691040 0.673335 Si\n0.329259 0.308957 0.326664 Si\n0.750000 0.356627 -0.000000 Si\n0.170741 0.982292 0.673335 Si\n0.250000 0.643371 0.000000 Si\n0.829259 0.017705 0.326664 Si\n0.539201 0.547935 0.850587 O\n0.317768 0.656199 0.517086 O\n0.539699 0.036543 0.818977 O\n0.182232 0.139113 0.482913 O\n0.682232 0.343798 0.482913 O\n0.960301 0.217565 0.181022 O\n0.960800 0.697348 0.149412 O\n0.039699 0.782432 0.818978 O\n0.039200 0.302650 0.850587 O\n0.460301 0.963454 0.181022 O\n0.817768 0.860884 0.517086 O\n0.460800 0.452062 0.149412 O\n",
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"formula_full": "Si6 O12",
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},
{
"id": "jvasp-51622",
"created_at": "2022-09-04T14:38:34.309986Z",
"updated_at": "2022-09-04T14:38:34.310011Z",
"structure_string": "Si3 O6\n1.0\n2.285250 -3.958168 0.000000\n2.285250 3.958168 -0.000000\n0.000000 -0.000000 6.773493\nSi O\n3 6\ndirect\n0.915155 -0.000000 0.666667 Si\n0.084845 0.084845 0.000000 Si\n-0.000000 0.915155 0.333333 Si\n0.119014 0.462566 0.921019 O\n0.537434 0.656448 0.587686 O\n0.462566 0.119014 0.078981 O\n0.343552 0.880986 0.254353 O\n0.880986 0.343552 0.745646 O\n0.656448 0.537434 0.412314 O\n",
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"formula_full": "Si3 O6",
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"spacegroup": 154
},
{
"id": "jvasp-57138",
"created_at": "2022-09-04T14:38:34.713998Z",
"updated_at": "2022-09-04T14:38:34.714023Z",
"structure_string": "Si8 O16\n1.0\n6.606101 0.000000 0.000000\n0.000000 6.606101 0.000000\n0.000000 -0.000000 8.147309\nSi O\n8 16\ndirect\n0.239825 0.463282 0.402674 Si\n0.239825 0.536718 0.902674 Si\n0.463282 0.760175 0.597327 Si\n0.536718 0.239825 0.597327 Si\n0.536718 0.760175 0.097327 Si\n0.760175 0.463282 0.902674 Si\n0.463282 0.239825 0.097327 Si\n0.760175 0.536718 0.402674 Si\n0.333695 0.692749 0.432195 O\n0.000000 0.500000 0.381908 O\n0.500000 0.000000 0.118092 O\n0.670054 0.329946 0.750000 O\n0.329946 0.329946 0.250000 O\n0.333695 0.307250 0.932195 O\n0.307250 0.333695 0.567805 O\n0.000000 0.500000 0.881908 O\n0.670054 0.670054 0.250000 O\n0.666305 0.692749 0.932195 O\n0.692749 0.333695 0.067805 O\n0.307250 0.666305 0.067805 O\n0.692749 0.666305 0.567805 O\n0.329946 0.670054 0.750000 O\n0.666305 0.307250 0.432195 O\n0.500000 0.000000 0.618092 O\n",
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{
"id": "jvasp-57276",
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"structure_string": "Si4 O8\n1.0\n4.820529 -0.003402 1.560058\n1.598101 6.420980 1.997864\n0.005035 -0.291411 6.905753\nSi O\n4 8\ndirect\n0.350897 0.949218 0.742519 Si\n0.649102 0.050783 0.257480 Si\n0.850897 0.742520 0.949217 Si\n0.149102 0.257480 0.050782 Si\n0.926161 0.137893 0.227222 O\n0.750000 0.838988 0.161012 O\n0.249999 0.161013 0.838987 O\n-0.000000 0.500000 -0.000000 O\n0.573837 0.772778 0.862107 O\n0.073837 0.862107 0.772777 O\n0.500000 0.000000 0.500000 O\n0.426161 0.227222 0.137893 O\n",
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"formula_full": "Si4 O8",
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"spacegroup": 15
},
{
"id": "jvasp-97444",
"created_at": "2022-09-04T14:36:02.034275Z",
"updated_at": "2022-09-04T14:36:02.034305Z",
"structure_string": "Si8 O16\n1.0\n6.677961 -0.560825 0.000000\n-1.079132 6.614013 -0.000000\n-0.000000 0.000000 9.183742\nSi O\n8 16\ndirect\n0.680680 0.927810 0.415382 Si\n0.927811 0.680679 0.915382 Si\n0.319320 0.072189 0.915382 Si\n0.680680 0.927810 0.084618 Si\n0.319320 0.072189 0.584618 Si\n0.072189 0.319320 0.415382 Si\n0.927811 0.680679 0.584618 Si\n0.072189 0.319320 0.084618 Si\n0.500000 -0.000000 0.000000 O\n0.606996 0.859733 0.250000 O\n0.140266 0.393004 0.250000 O\n0.883546 0.116453 0.410641 O\n0.733556 0.733556 0.000000 O\n0.116454 0.883545 0.910641 O\n0.266444 0.266443 0.500000 O\n0.733556 0.733556 0.500000 O\n0.859734 0.606995 0.750000 O\n0.393004 0.140266 0.750000 O\n0.500000 -0.000000 0.500000 O\n0.883546 0.116453 0.089359 O\n0.116454 0.883545 0.589359 O\n0.266444 0.266443 0.000000 O\n0.000000 0.500000 0.500000 O\n0.000000 0.500000 0.000000 O\n",
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"spacegroup": 63
}
]
}