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{
"id": "jvasp-92584",
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"structure_string": "Cu1 Br2 N2\n1.0\n0.234046 0.000000 3.873134\n-3.471218 3.733911 0.130056\n-3.471218 -3.733911 0.130056\nCu Br N\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Cu\n0.633612 0.265597 0.265597 Br\n0.366389 0.734403 0.734403 Br\n0.000001 0.251963 0.748038 N\n0.000001 0.748038 0.251963 N\n",
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{
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"structure_string": "Cu1 Br2 N6\n1.0\n-4.058108 -4.058108 0.000000\n-4.058108 -0.000000 -4.058108\n0.000000 -4.058108 -4.058108\nCu Br N\n1 2 6\ndirect\n0.000000 0.000000 0.000000 Cu\n0.250000 0.250000 0.250000 Br\n0.750000 0.750000 0.750000 Br\n0.650754 0.349247 0.349247 N\n0.650754 0.349247 0.650754 N\n0.650754 0.650754 0.349247 N\n0.349247 0.650754 0.650754 N\n0.349247 0.650754 0.349247 N\n0.349247 0.349247 0.650754 N\n",
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{
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"updated_at": "2022-09-04T14:37:07.218251Z",
"structure_string": "Cu1 C1 N1\n1.0\n3.793983 -0.011215 -0.015100\n-0.861282 3.694946 -0.015100\n-0.861282 -1.081846 3.533052\nCu C N\n1 1 1\ndirect\n-0.000035 -0.000035 -0.000035 Cu\n0.621296 0.621295 0.621296 C\n0.378738 0.378738 0.378738 N\n",
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{
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"created_at": "2022-09-04T14:37:07.995520Z",
"updated_at": "2022-09-04T14:37:07.995558Z",
"structure_string": "Cu1 C1 O3\n1.0\n3.038860 -0.393096 -0.042230\n-0.084474 4.319007 1.741315\n-0.542975 0.467193 4.602179\nCu C O\n1 1 3\ndirect\n0.463333 0.434879 0.434880 Cu\n0.110538 0.021807 0.021807 C\n0.385619 0.155053 0.155054 O\n0.977757 0.171094 0.707166 O\n0.977757 0.707164 0.171096 O\n",
"nsites": 5,
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"elements": [
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"volume": 58.05221906185421,
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{
"id": "jvasp-18435",
"created_at": "2022-09-04T14:36:46.877325Z",
"updated_at": "2022-09-04T14:36:46.877349Z",
"structure_string": "Cu1 C1 O3\n1.0\n3.038920 -0.393160 -0.042307\n-0.084599 4.319073 1.741489\n-0.543089 0.467358 4.602279\nCu C O\n1 1 3\ndirect\n0.463330 0.434887 0.434887 Cu\n0.110540 0.021804 0.021804 C\n0.385659 0.155040 0.155040 O\n0.977735 0.171108 0.707159 O\n0.977735 0.707160 0.171108 O\n",
"nsites": 5,
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{
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"created_at": "2022-09-04T14:36:22.052653Z",
"updated_at": "2022-09-04T14:36:22.052672Z",
"structure_string": "Cu1 C2 S2 O6 F6\n1.0\n4.695334 0.016955 1.049816\n2.388266 4.259605 0.120444\n0.037073 -0.072638 10.691707\nCu C S O F\n1 2 2 6 6\ndirect\n0.500000 0.500000 0.000000 Cu\n0.054538 0.713811 0.665279 C\n0.945462 0.286189 0.334722 C\n0.057703 0.222317 0.155171 S\n0.942296 0.777682 0.844829 S\n0.363487 0.234185 0.119046 O\n0.781084 0.489494 0.118700 O\n0.636513 0.765815 0.880953 O\n0.906115 0.083686 0.873696 O\n0.093884 0.916314 0.126306 O\n0.218915 0.510505 0.881300 O\n0.183655 0.051888 0.380375 F\n0.661042 0.286241 0.379957 F\n0.338958 0.713758 0.620044 F\n0.816345 0.948111 0.619625 F\n0.088884 0.435812 0.627212 F\n0.911116 0.564188 0.372788 F\n",
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"elements": [
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"volume": 213.09731782193722,
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"formula_full": "Cu1 C2 S2 O6 F6",
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{
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"created_at": "2022-09-04T14:38:38.080986Z",
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"structure_string": "Cu1 Cl1\n1.0\n3.309618 0.020558 1.876201\n1.102660 3.120598 1.876201\n0.028877 0.020558 3.804321\nCu Cl\n1 1\ndirect\n0.991391 0.991392 0.991388 Cu\n0.241610 0.241611 0.241609 Cl\n",
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"volume": 38.95165913976172,
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"formula_full": "Cu1 Cl1",
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},
{
"id": "jvasp-54956",
"created_at": "2022-09-04T14:38:27.635467Z",
"updated_at": "2022-09-04T14:38:27.635488Z",
"structure_string": "Cu1 Cl1\n1.0\n3.126379 0.000000 1.805015\n1.042126 2.947578 1.805015\n0.000000 0.000000 3.610031\nCu Cl\n1 1\ndirect\n0.000000 0.000000 0.000000 Cu\n0.500001 0.500000 0.500001 Cl\n",
"nsites": 2,
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"elements": [
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"formula_full": "Cu1 Cl1",
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{
"id": "jvasp-1201",
"created_at": "2022-09-04T14:36:47.546374Z",
"updated_at": "2022-09-04T14:36:47.546390Z",
"structure_string": "Cu1 Cl1\n1.0\n3.305767 -0.000000 1.908586\n1.101923 3.116707 1.908586\n0.000000 0.000000 3.817171\nCu Cl\n1 1\ndirect\n0.000000 0.000000 0.000000 Cu\n0.250000 0.250000 0.250000 Cl\n",
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},
{
"id": "jvasp-8734",
"created_at": "2022-09-04T14:37:05.925768Z",
"updated_at": "2022-09-04T14:37:05.925799Z",
"structure_string": "Cu1 Cl2\n1.0\n3.182811 -0.000000 0.914429\n1.593250 3.448542 0.450795\n0.045560 -0.035912 5.837769\nCu Cl\n1 2\ndirect\n0.000000 0.000000 0.000000 Cu\n0.262163 0.229963 0.245712 Cl\n0.737837 0.770037 0.754288 Cl\n",
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},
{
"id": "jvasp-105092",
"created_at": "2022-09-04T14:36:49.417100Z",
"updated_at": "2022-09-04T14:36:49.417129Z",
"structure_string": "Cu1 Cl2\n1.0\n4.517915 0.000000 0.000000\n0.000000 4.517915 0.000000\n0.000000 0.000000 3.680498\nCu Cl\n1 2\ndirect\n0.000000 0.000000 0.000000 Cu\n0.500001 0.000000 -0.000000 Cl\n-0.000000 0.500001 -0.000000 Cl\n",
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{
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"created_at": "2022-09-04T14:36:45.714408Z",
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"structure_string": "Cu1 Cl2\n1.0\n3.161749 -0.140407 5.067347\n1.345155 2.864774 5.067347\n-0.232275 -0.140407 5.968309\nCu Cl\n1 2\ndirect\n0.000000 0.000000 0.000000 Cu\n0.747009 0.747005 0.747009 Cl\n0.252993 0.252992 0.252993 Cl\n",
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