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{
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{
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"structure_string": "Si4 H16\n1.0\n0.000000 7.393492 0.065426\n4.740377 0.000000 0.000000\n0.000000 -1.824042 -7.267587\nSi H\n4 16\ndirect\n0.248508 0.063323 0.846100 Si\n0.751492 0.563323 0.653900 Si\n0.751492 0.936678 0.153899 Si\n0.248508 0.436677 0.346100 Si\n0.589230 0.089986 0.193884 H\n0.410769 0.589986 0.306116 H\n0.300602 0.365469 0.888371 H\n0.699399 0.865469 0.611630 H\n0.699398 0.634532 0.111629 H\n0.300601 0.134532 0.388370 H\n0.085285 0.046200 0.681317 H\n0.914715 0.953800 0.318683 H\n0.589231 0.410015 0.693884 H\n0.085285 0.453800 0.181317 H\n0.198136 0.568988 0.508162 H\n0.801864 0.068987 0.991838 H\n0.801864 0.431013 0.491838 H\n0.198136 0.931013 0.008162 H\n0.914715 0.546201 0.818683 H\n0.410770 0.910015 0.806116 H\n",
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{
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"updated_at": "2022-09-04T14:35:42.955270Z",
"structure_string": "Ca1 B2 H10 N2\n1.0\n2.132107 4.557572 0.013859\n-2.132107 4.557572 0.013859\n0.000000 0.378571 6.328609\nCa B H N\n1 2 10 2\ndirect\n0.600110 0.399889 0.000000 Ca\n0.256644 0.085991 0.784243 B\n0.914008 0.743355 0.215758 B\n0.007884 0.144694 0.696331 H\n0.855306 -0.007885 0.303669 H\n0.212318 0.485795 0.257484 H\n0.514205 0.787681 0.742516 H\n0.199586 0.093455 0.979658 H\n0.906544 0.800414 0.020342 H\n0.476161 0.255030 0.578294 H\n0.744970 0.523839 0.421706 H\n0.419583 0.891094 0.316210 H\n0.108906 0.580417 0.683791 H\n0.330713 0.332943 0.716280 N\n0.667056 0.669286 0.283721 N\n",
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"structure_string": "Mg1 Tc2 As1\n1.0\n0.000000 3.136513 3.136513\n3.136513 0.000000 3.136513\n3.136513 3.136513 0.000000\nMg Tc As\n1 2 1\ndirect\n0.749999 0.749999 0.749999 Mg\n0.000000 0.000000 0.000000 Tc\n0.250000 0.250000 0.250000 Tc\n0.500000 0.500000 0.500000 As\n",
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"updated_at": "2022-09-04T14:35:42.956099Z",
"structure_string": "Cu4 As16 S12 Cl4\n1.0\n7.240151 -0.000000 0.000000\n0.000000 10.915253 0.000000\n0.000000 0.000000 11.090309\nCu As S Cl\n4 16 12 4\ndirect\n0.500000 0.301246 0.750000 Cu\n0.000000 0.698754 0.250000 Cu\n0.500000 0.698754 0.250000 Cu\n0.000000 0.301246 0.750000 Cu\n0.750000 0.250569 0.220523 As\n0.250000 0.749431 0.779477 As\n0.250000 0.250569 0.279477 As\n0.424646 0.637453 0.943177 As\n0.924646 0.362547 0.056823 As\n0.075354 0.362547 0.443177 As\n0.575354 0.637453 0.556823 As\n0.750000 0.749431 0.720523 As\n0.075354 0.637453 0.943177 As\n0.924646 0.637453 0.556823 As\n0.424646 0.362547 0.443177 As\n0.750000 0.064716 0.944760 As\n0.250000 0.935283 0.055240 As\n0.750000 0.935283 0.444760 As\n0.250000 0.064716 0.555240 As\n0.575354 0.362547 0.056823 As\n0.492098 0.796649 0.070539 S\n0.992098 0.203351 0.929461 S\n0.007902 0.203351 0.570539 S\n0.507902 0.796649 0.429461 S\n0.507902 0.203351 0.929461 S\n0.007902 0.796649 0.070539 S\n0.750000 0.055293 0.149739 S\n0.492098 0.203351 0.570539 S\n0.250000 0.944707 0.850262 S\n0.750000 0.944707 0.649739 S\n0.250000 0.055293 0.350261 S\n0.992098 0.796649 0.429461 S\n0.750000 0.554668 0.236733 Cl\n0.750000 0.445332 0.736733 Cl\n0.250000 0.554668 0.263267 Cl\n0.250000 0.445332 0.763267 Cl\n",
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"created_at": "2022-09-04T14:35:42.956613Z",
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