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{
"id": "jvasp-114465",
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"updated_at": "2022-09-04T14:38:41.141774Z",
"structure_string": "B2 Br1\n1.0\n8.328137 0.000000 -4.397166\n0.000000 3.421533 0.000000\n-5.119897 0.000000 4.749852\nB Br\n2 1\ndirect\n-0.212842 0.000000 -0.331060 B\n0.292830 0.000000 0.173670 B\n0.082231 0.000000 0.345612 Br\n",
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{
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"structure_string": "B1 Br3\n1.0\n6.369184 0.000000 -0.000000\n-3.184592 5.515875 0.000000\n-0.000000 0.000000 4.018956\nB Br\n1 3\ndirect\n0.000000 0.000000 0.000000 B\n0.300307 0.000000 0.000000 Br\n1.000000 0.300307 0.000000 Br\n0.699693 0.699694 0.000000 Br\n",
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{
"id": "jvasp-114470",
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"structure_string": "B1 Br2\n1.0\n4.033825 0.000000 0.000000\n0.000000 3.853084 0.000000\n0.000000 0.000000 6.927600\nB Br\n1 2\ndirect\n0.288971 0.000000 0.000000 B\n0.055515 0.000000 0.763439 Br\n0.055515 0.000000 0.236562 Br\n",
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{
"id": "jvasp-114471",
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"updated_at": "2022-09-04T14:38:42.066130Z",
"structure_string": "B1 Br2\n1.0\n6.622026 0.000000 2.801613\n0.000000 3.937885 0.000000\n1.768174 0.000000 5.040142\nB Br\n1 2\ndirect\n0.003307 0.000000 0.207666 B\n-0.122471 0.000000 -0.009639 Br\n0.346260 0.000000 -0.009805 Br\n",
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{
"id": "jvasp-114472",
"created_at": "2022-09-04T14:38:41.198125Z",
"updated_at": "2022-09-04T14:38:41.198159Z",
"structure_string": "B2 Br2\n1.0\n3.052327 -0.000000 0.000000\n-0.000000 3.052327 -0.000000\n-0.000000 -0.000000 7.557784\nB Br\n2 2\ndirect\n0.000000 -0.000000 -0.042295 B\n0.500001 0.500001 0.042295 B\n0.000000 0.000000 0.703590 Br\n0.500001 0.500001 0.296409 Br\n",
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"density": 4.27859920015879,
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"volume": 70.41360706140856,
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"formula_full": "B2 Br2",
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"spacegroup": 129
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{
"id": "jvasp-114473",
"created_at": "2022-09-04T14:38:41.901921Z",
"updated_at": "2022-09-04T14:38:41.901957Z",
"structure_string": "B1 Br3\n1.0\n5.428409 -0.652524 0.670618\n-3.309139 -5.368853 0.695796\n0.699941 -2.119825 -3.400733\nB Br\n1 3\ndirect\n0.941150 0.271559 0.074935 B\n0.942447 -0.031785 0.089379 Br\n0.633057 0.270763 0.355513 Br\n0.248739 0.575732 0.787946 Br\n",
"nsites": 4,
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"elements": [
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"formula_full": "B1 Br3",
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"spacegroup": 8
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{
"id": "jvasp-114474",
"created_at": "2022-09-04T14:38:41.194573Z",
"updated_at": "2022-09-04T14:38:41.194612Z",
"structure_string": "B3 Br1\n1.0\n5.809787 -0.083660 0.334647\n-0.491706 -3.570709 0.430866\n-0.210501 1.997979 -3.024219\nB Br\n3 1\ndirect\n0.921179 0.085131 0.883954 B\n0.921165 0.511741 0.457284 B\n0.104954 0.389816 0.761883 B\n0.367853 0.020577 0.392471 Br\n",
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"spacegroup": 42
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{
"id": "jvasp-114475",
"created_at": "2022-09-04T14:38:41.715434Z",
"updated_at": "2022-09-04T14:38:41.715465Z",
"structure_string": "Ca1 B1 C1\n1.0\n2.746299 -0.875493 0.000000\n0.082996 5.002999 0.000000\n0.000000 0.000000 3.908748\nCa B C\n1 1 1\ndirect\n0.059309 0.421411 0.000000 Ca\n-0.204931 -0.107047 0.000000 B\n0.327409 -0.042337 0.000000 C\n",
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{
"id": "jvasp-114476",
"created_at": "2022-09-04T14:38:42.080417Z",
"updated_at": "2022-09-04T14:38:42.080443Z",
"structure_string": "Ca1 B1 C1\n1.0\n4.123936 -0.000000 0.000000\n-2.061968 3.571433 -0.000000\n-0.000000 0.000000 4.261871\nCa B C\n1 1 1\ndirect\n0.666667 0.333333 0.000000 Ca\n0.000000 0.000000 0.000000 B\n0.333333 0.666665 0.000000 C\n",
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"volume": 62.77037513608293,
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"formula_full": "Ca1 B1 C1",
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"formula_anonymous": "ABC",
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"spacegroup": 187
},
{
"id": "jvasp-114479",
"created_at": "2022-09-04T14:38:41.234426Z",
"updated_at": "2022-09-04T14:38:41.234445Z",
"structure_string": "B1 C1 Cl1\n1.0\n3.967140 0.000000 0.000000\n-1.983570 3.435644 -0.000000\n0.000000 0.000000 2.699464\nB C Cl\n1 1 1\ndirect\n0.000000 0.000000 0.000000 B\n0.333332 0.666666 0.000000 C\n0.666666 0.333333 0.000000 Cl\n",
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{
"id": "jvasp-114481",
"created_at": "2022-09-04T14:38:41.246917Z",
"updated_at": "2022-09-04T14:38:41.246943Z",
"structure_string": "B2 C1 Cl2\n1.0\n2.842872 0.000000 0.000000\n-1.421436 2.461999 -0.000000\n0.000000 0.000000 8.049579\nB C Cl\n2 1 2\ndirect\n0.666665 0.333333 0.394906 B\n0.333332 0.666667 0.605093 B\n0.000000 0.000000 0.500000 C\n0.666665 0.333333 0.796272 Cl\n0.333332 0.666667 0.203728 Cl\n",
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{
"id": "jvasp-114482",
"created_at": "2022-09-04T14:38:40.828887Z",
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"structure_string": "Cu1 B1 C1\n1.0\n3.327132 -0.000000 -0.000000\n-1.663566 2.881381 0.000000\n0.000000 0.000000 3.749578\nCu B C\n1 1 1\ndirect\n0.666665 0.333333 0.000000 Cu\n0.000000 0.000000 0.000000 B\n0.333332 0.666666 0.000000 C\n",
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