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{
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"structure_string": "Ba2 Br1 Cl3\n1.0\n5.310661 -0.000000 -0.000000\n-2.655330 4.599167 0.000000\n0.000000 0.000000 7.202771\nBa Br Cl\n2 1 3\ndirect\n0.666666 0.333333 0.234347 Ba\n0.333332 0.666667 0.765653 Ba\n0.000000 0.000000 0.500000 Br\n0.000000 0.000000 0.000000 Cl\n0.666666 0.333333 0.774861 Cl\n0.333332 0.666667 0.225139 Cl\n",
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{
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"created_at": "2022-09-04T14:38:42.386960Z",
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"structure_string": "Ba2 Br1 N1\n1.0\n2.074898 1.197943 7.933309\n-2.074898 1.197943 7.933309\n-0.000000 -2.395886 7.933309\nBa Br N\n2 1 1\ndirect\n0.228965 0.228965 0.228966 Ba\n0.771033 0.771033 0.771036 Ba\n0.000000 0.000000 0.000000 Br\n0.499999 0.499999 0.500001 N\n",
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{
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"updated_at": "2022-09-04T14:36:40.969047Z",
"structure_string": "Ba2 Ca1 Bi1 O6\n1.0\n5.345110 -0.000000 3.086001\n1.781703 5.039418 3.086001\n-0.000000 -0.000000 6.172001\nBa Ca Bi O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.749999 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Bi\n0.757865 0.242135 0.242134 O\n0.242134 0.757866 0.757865 O\n0.242134 0.757866 0.242135 O\n0.757865 0.242135 0.757865 O\n0.242134 0.242135 0.757865 O\n0.757865 0.757866 0.242134 O\n",
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{
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"created_at": "2022-09-04T14:36:02.577122Z",
"updated_at": "2022-09-04T14:36:02.577142Z",
"structure_string": "Ba2 Ca1 B6 O12\n1.0\n6.204879 -0.043225 3.558298\n2.041001 5.859753 3.558298\n-0.061279 -0.043225 7.152499\nBa Ca B O\n2 1 6 12\ndirect\n0.210605 0.210604 0.210605 Ba\n0.789395 0.789393 0.789396 Ba\n0.000000 0.000000 0.000000 Ca\n0.631357 0.756551 0.366381 B\n0.366380 0.631355 0.756554 B\n0.368644 0.243446 0.633620 B\n0.633620 0.368643 0.243448 B\n0.243447 0.633619 0.368644 B\n0.756553 0.366379 0.631357 B\n0.202979 0.457225 0.578474 O\n0.578474 0.202978 0.457226 O\n0.457226 0.578472 0.202979 O\n0.542775 0.421525 0.797022 O\n0.421527 0.797020 0.542775 O\n0.797022 0.542773 0.421528 O\n0.336786 0.086447 0.837578 O\n0.837578 0.336785 0.086449 O\n0.663215 0.913551 0.162423 O\n0.162423 0.663213 0.913553 O\n0.913552 0.162421 0.663215 O\n0.086448 0.837577 0.336786 O\n",
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"created_at": "2022-09-04T14:37:48.709621Z",
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"structure_string": "Ba2 Ca1 B2 O6\n1.0\n4.997825 0.000036 2.266421\n1.972899 4.708183 2.293202\n0.029529 0.023786 6.578477\nBa Ca B O\n2 1 2 6\ndirect\n0.211976 0.260651 0.315394 Ba\n0.788022 0.739350 0.684605 Ba\n0.000000 -0.000000 -0.000000 Ca\n0.562884 0.628970 0.245260 B\n0.437114 0.371031 0.754739 B\n0.722738 0.378661 0.175862 O\n0.736534 0.238518 0.726642 O\n0.701699 0.761496 0.273334 O\n0.277261 0.621340 0.824137 O\n0.298300 0.238505 0.726666 O\n0.263465 0.761483 0.273357 O\n",
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"formula_full": "Ba2 Ca1 B2 O6",
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"id": "jvasp-11617",
"created_at": "2022-09-04T14:37:27.445480Z",
"updated_at": "2022-09-04T14:37:27.445501Z",
"structure_string": "Ba2 Ca1 Cu2 Hg1 O6\n1.0\n3.894056 0.000000 0.000000\n-0.000000 3.894056 -0.000000\n0.000000 -0.000000 12.926727\nBa Ca Cu Hg O\n2 1 2 1 6\ndirect\n0.500001 0.500001 0.229060 Ba\n0.500001 0.500001 0.770941 Ba\n0.500001 0.500001 0.500000 Ca\n0.000000 0.000000 0.385604 Cu\n0.000000 0.000000 0.614397 Cu\n0.000000 0.000000 0.000000 Hg\n0.000000 0.000000 0.844625 O\n0.000000 0.000000 0.155375 O\n0.500001 0.000000 0.620824 O\n0.000000 0.500001 0.620824 O\n0.500001 0.000000 0.379176 O\n0.000000 0.500001 0.379176 O\n",
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"density": 6.255383492446025,
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"formula_full": "Ba2 Ca1 Cu2 Hg1 O6",
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{
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"created_at": "2022-09-04T14:35:41.605720Z",
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"structure_string": "Ba2 Ca1 Cu2 Hg1 O6\n1.0\n3.894191 0.000000 0.000000\n-0.000000 3.894191 0.000000\n0.000000 0.000000 12.926970\nBa Ca Cu Hg O\n2 1 2 1 6\ndirect\n0.500000 0.500000 0.229064 Ba\n0.500000 0.500000 0.770936 Ba\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.385581 Cu\n0.000000 0.000000 0.614419 Cu\n0.000000 0.000000 0.000000 Hg\n0.000000 0.000000 0.844619 O\n0.000000 0.000000 0.155381 O\n0.500000 0.000000 0.620824 O\n0.000000 0.500000 0.620824 O\n0.500000 0.000000 0.379176 O\n0.000000 0.500000 0.379176 O\n",
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{
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"created_at": "2022-09-04T14:38:54.263029Z",
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"structure_string": "Ba2 Ca1 Cu2 Mo1 O8\n1.0\n3.910138 -0.000000 0.000000\n0.000000 3.910138 0.000000\n-0.000000 -0.000000 12.176698\nBa Ca Cu Mo O\n2 1 2 1 8\ndirect\n0.500000 0.500000 0.790368 Ba\n0.500000 0.500000 0.209632 Ba\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.379030 Cu\n0.000000 0.000000 0.620970 Cu\n0.000000 0.000000 0.000000 Mo\n0.500000 0.000000 0.626913 O\n-0.000000 0.500000 0.626913 O\n0.500000 0.000000 0.373087 O\n-0.000000 0.500000 0.373087 O\n-0.000000 0.500000 -0.000000 O\n0.500000 0.000000 -0.000000 O\n0.000000 0.000000 0.154421 O\n0.000000 0.000000 0.845579 O\n",
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{
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{
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