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{
"id": "jvasp-117758",
"created_at": "2022-09-04T14:38:50.132136Z",
"updated_at": "2022-09-04T14:38:50.132164Z",
"structure_string": "Ca1 H1 Br1\n1.0\n6.143379 0.000000 0.000000\n0.000000 6.143379 0.000000\n0.000000 0.000000 8.397740\nCa H Br\n1 1 1\ndirect\n0.000000 0.000000 -0.005525 Ca\n0.000000 0.000000 0.754282 H\n0.000000 0.000000 0.305898 Br\n",
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{
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"structure_string": "Ca1 H1 Br1\n1.0\n4.650028 3.052330 0.000000\n3.761433 6.862117 0.000000\n0.000000 0.000000 4.743604\nCa H Br\n1 1 1\ndirect\n0.245363 0.015391 0.000000 Ca\n-0.041132 0.444997 0.000000 H\n0.118913 -0.275948 0.000000 Br\n",
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{
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"updated_at": "2022-09-04T14:38:09.548014Z",
"structure_string": "Ca1 H12 Cl2 O6\n1.0\n3.921329 -6.791942 -0.000000\n3.921329 6.791942 0.000000\n-0.000000 -0.000000 3.877679\nCa H Cl O\n1 12 2 6\ndirect\n0.000000 0.000000 0.000000 Ca\n0.439168 0.338508 0.104815 H\n0.661492 0.100660 0.104815 H\n0.100660 0.661492 0.895185 H\n0.338508 0.439168 0.895185 H\n0.560832 0.899341 0.895185 H\n0.899341 0.560832 0.104815 H\n0.348427 0.115087 0.527103 H\n0.766661 0.651574 0.527103 H\n0.115087 0.348427 0.472897 H\n0.651574 0.766661 0.472897 H\n0.233339 0.884913 0.472897 H\n0.884913 0.233339 0.527103 H\n0.666667 0.333333 0.427783 Cl\n0.333333 0.666667 0.572217 Cl\n0.685842 0.000000 0.000000 O\n0.785366 0.785366 0.500000 O\n0.214634 0.000000 0.500000 O\n0.000000 0.214634 0.500000 O\n0.314158 0.314158 0.000000 O\n0.000000 0.685842 0.000000 O\n",
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"elements": [
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"density_atomic": 0.10166938455462324,
"volume": 206.55185523147796,
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"formula_full": "Ca1 H12 Cl2 O6",
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{
"id": "jvasp-55712",
"created_at": "2022-09-04T14:38:03.428647Z",
"updated_at": "2022-09-04T14:38:03.428665Z",
"structure_string": "Ca1 H12 Br2 O6\n1.0\n4.049593 -7.014101 0.000000\n4.049593 7.014101 -0.000000\n-0.000000 0.000000 3.942197\nCa H Br O\n1 12 2 6\ndirect\n0.000000 0.000000 0.000000 Ca\n0.111000 0.774930 0.528899 H\n0.225069 0.336071 0.528899 H\n0.774930 0.111000 0.471102 H\n0.888999 0.663928 0.471102 H\n0.336071 0.225069 0.471102 H\n0.663928 0.888999 0.528899 H\n0.575254 0.672868 0.101131 H\n0.097613 0.424745 0.101131 H\n0.424745 0.097613 0.898870 H\n0.902386 0.327131 0.898870 H\n0.672868 0.575254 0.898870 H\n0.327131 0.902386 0.101131 H\n0.666667 0.333333 0.562871 Br\n0.333333 0.666667 0.437130 Br\n0.206456 0.206456 0.500000 O\n-0.000000 0.302999 0.000000 O\n0.697000 0.697000 0.000000 O\n0.302999 -0.000000 0.000000 O\n-0.000000 0.793543 0.500000 O\n0.793543 -0.000000 0.500000 O\n",
"nsites": 21,
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"elements": [
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"formula_full": "Ca1 H12 Br2 O6",
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{
"id": "jvasp-7913",
"created_at": "2022-09-04T14:37:04.300118Z",
"updated_at": "2022-09-04T14:37:04.300141Z",
"structure_string": "Ca1 Ge2 Ru2\n1.0\n3.985359 -0.000000 -1.560382\n-0.610934 3.938254 -1.560382\n-0.004589 -0.005357 5.857955\nCa Ge Ru\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.367882 0.367881 0.735764 Ge\n0.632119 0.632117 0.264237 Ge\n0.250000 0.749999 0.500001 Ru\n0.750000 0.249999 0.500001 Ru\n",
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{
"id": "jvasp-17383",
"created_at": "2022-09-04T14:38:32.761887Z",
"updated_at": "2022-09-04T14:38:32.761918Z",
"structure_string": "Ca1 Ge2 Rh2\n1.0\n3.912190 0.000000 -1.453132\n-0.539747 3.874778 -1.453132\n0.005227 0.006006 6.006927\nCa Ge Rh\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.374214 0.374214 0.748428 Ge\n0.625787 0.625787 0.251573 Ge\n0.750000 0.250001 0.500001 Rh\n0.250000 0.750001 0.500001 Rh\n",
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{
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"created_at": "2022-09-04T14:38:31.165329Z",
"updated_at": "2022-09-04T14:38:31.165350Z",
"structure_string": "Ca1 Ge2 Pd2\n1.0\n4.044457 0.000000 -1.608555\n-0.639752 3.993539 -1.608555\n0.017037 0.019983 5.931689\nCa Ge Pd\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.375495 0.375494 0.750990 Ge\n0.624507 0.624506 0.249012 Ge\n0.250001 0.750000 0.500001 Pd\n0.750001 0.250000 0.500001 Pd\n",
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{
"id": "jvasp-103737",
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"updated_at": "2022-09-04T14:36:49.444326Z",
"structure_string": "Ca1 Ge2 N2\n1.0\n3.200366 -0.000079 0.000126\n-1.600155 2.771437 0.000162\n-0.000263 -0.000370 8.729108\nCa Ge N\n1 2 2\ndirect\n0.000007 -0.000007 0.500000 Ca\n0.666697 0.333317 0.192874 Ge\n0.333340 0.666648 0.807126 Ge\n0.666648 0.333285 0.680526 N\n0.333365 0.666706 0.319474 N\n",
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{
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"created_at": "2022-09-04T14:38:30.533661Z",
"updated_at": "2022-09-04T14:38:30.533680Z",
"structure_string": "Ca1 Ge2 Ir2\n1.0\n3.931461 0.000000 -1.466686\n-0.547168 3.893199 -1.466686\n-0.002036 -0.002342 5.997039\nCa Ge Ir\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.375821 0.375823 0.751644 Ge\n0.624177 0.624178 0.248355 Ge\n0.749999 0.250000 0.499999 Ir\n0.249999 0.750000 0.499999 Ir\n",
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{
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"updated_at": "2022-09-04T14:35:52.540412Z",
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{
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{
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