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{
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{
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"nsites": 5,
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"elements": [
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"formula_full": "Ca1 Si2 N2",
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},
{
"id": "jvasp-15582",
"created_at": "2022-09-04T14:36:46.419106Z",
"updated_at": "2022-09-04T14:36:46.419133Z",
"structure_string": "Ca1 Si2 Cu2\n1.0\n3.814593 -0.000000 -1.446218\n-0.548301 3.774982 -1.446218\n-0.003680 -0.004253 5.744152\nCa Si Cu\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.619576 0.619576 0.239151 Si\n0.380424 0.380425 0.760848 Si\n0.250000 0.750000 0.499999 Cu\n0.750000 0.250000 0.499999 Cu\n",
"nsites": 5,
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"density": 4.486162377751931,
"density_atomic": 0.06048218043345081,
"volume": 82.6689772783829,
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"formula_full": "Ca1 Si2 Cu2",
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},
{
"id": "jvasp-15792",
"created_at": "2022-09-04T14:36:37.728667Z",
"updated_at": "2022-09-04T14:36:37.728697Z",
"structure_string": "Ca1 Si2 Au2\n1.0\n4.087162 -0.000000 -1.618146\n-0.640639 4.036642 -1.618146\n-0.031806 -0.037253 5.890475\nCa Si Au\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.616292 0.616293 0.232586 Si\n0.383706 0.383707 0.767413 Si\n0.249999 0.750000 0.499999 Au\n0.749999 0.250000 0.500000 Au\n",
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"elements": [
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"density": 8.418249169844032,
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"volume": 96.69072196322185,
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"formula_full": "Ca1 Si2 Au2",
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},
{
"id": "jvasp-15024",
"created_at": "2022-09-04T14:36:38.636112Z",
"updated_at": "2022-09-04T14:36:38.636121Z",
"structure_string": "Ca1 Si2\n1.0\n3.612913 -0.016137 4.429190\n1.566098 3.255877 4.429190\n-0.025796 -0.016137 5.715786\nCa Si\n1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.801866 0.801866 0.801868 Si\n0.198133 0.198133 0.198134 Si\n",
"nsites": 3,
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{
"id": "jvasp-16869",
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"updated_at": "2022-09-04T14:38:33.150767Z",
"structure_string": "Ca1 Si2\n1.0\n2.057943 -3.564463 -0.000000\n2.057943 3.564463 0.000000\n0.000000 0.000000 4.246217\nCa Si\n1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.333332 0.666666 0.500000 Si\n0.666666 0.333332 0.500000 Si\n",
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"elements": [
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{
"id": "jvasp-16048",
"created_at": "2022-09-04T14:36:21.600361Z",
"updated_at": "2022-09-04T14:36:21.600383Z",
"structure_string": "Ca1 Si2\n1.0\n1.954205 -3.384783 -0.000000\n1.954205 3.384783 -0.000000\n-0.000000 0.000000 4.912805\nCa Si\n1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.333332 0.666666 0.589538 Si\n0.666666 0.333332 0.410461 Si\n",
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"elements": [
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"volume": 64.992085530726,
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},
{
"id": "jvasp-8104",
"created_at": "2022-09-04T14:37:04.552635Z",
"updated_at": "2022-09-04T14:37:04.552663Z",
"structure_string": "Ca1 Si1 O3\n1.0\n3.599962 -0.000000 -0.000000\n0.000000 3.599962 0.000000\n0.000000 0.000000 3.599962\nCa Si O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Si\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.000000 O\n",
"nsites": 5,
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"density": 4.134455359180333,
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"formula_full": "Ca1 Si1 O3",
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},
{
"id": "jvasp-115802",
"created_at": "2022-09-04T14:38:40.139652Z",
"updated_at": "2022-09-04T14:38:40.139669Z",
"structure_string": "Ca1 Si1 N2\n1.0\n2.978745 0.000000 0.000000\n0.000000 2.978745 -0.000000\n-0.000000 0.000000 5.496372\nCa Si N\n1 1 2\ndirect\n0.499999 0.499999 0.542725 Ca\n0.000000 0.000000 0.085039 Si\n0.000000 0.000000 0.388592 N\n0.499999 0.499999 0.993643 N\n",
"nsites": 4,
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"elements": [
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"formula_full": "Ca1 Si1 N2",
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},
{
"id": "jvasp-115805",
"created_at": "2022-09-04T14:38:50.548167Z",
"updated_at": "2022-09-04T14:38:50.548188Z",
"structure_string": "Ca1 Si1 N2\n1.0\n1.493659 0.862365 5.297569\n-1.493659 0.862365 5.297569\n0.000000 -1.724729 5.297569\nCa Si N\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.499999 0.499999 0.500002 Si\n0.770275 0.770275 0.770279 N\n0.229723 0.229723 0.229725 N\n",
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},
{
"id": "jvasp-115804",
"created_at": "2022-09-04T14:38:47.632792Z",
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"structure_string": "Ca1 Si1 N1\n1.0\n3.898608 -0.000000 0.000000\n0.000000 3.898608 0.000000\n-0.000000 0.000000 6.813492\nCa Si N\n1 1 1\ndirect\n0.000000 0.000000 0.420565 Ca\n0.000000 0.000000 -0.034101 Si\n0.000000 0.000000 0.732880 N\n",
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