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{
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"created_at": "2022-09-04T14:36:08.691394Z",
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"structure_string": "Ca1 Ni12 B6\n1.0\n3.698776 -4.773642 -0.005882\n3.698776 4.773642 -0.005882\n-2.453304 -0.000000 5.518145\nCa Ni B\n1 12 6\ndirect\n0.000000 0.000000 0.000000 Ca\n0.869341 0.130662 0.500001 Ni\n0.544637 0.544637 0.813077 Ni\n0.455366 0.186925 0.455365 Ni\n0.186925 0.455366 0.455365 Ni\n0.455366 0.455366 0.186924 Ni\n0.130662 0.869341 0.500001 Ni\n0.869341 0.500001 0.130661 Ni\n0.500001 0.130662 0.869341 Ni\n0.813078 0.544637 0.544636 Ni\n0.130662 0.500001 0.869341 Ni\n0.500001 0.869341 0.130661 Ni\n0.544637 0.813078 0.544636 Ni\n0.334427 0.764464 0.764464 B\n0.764464 0.334427 0.764464 B\n0.764464 0.764464 0.334426 B\n0.235538 0.665575 0.235538 B\n0.665575 0.235538 0.235538 B\n0.235538 0.235538 0.665575 B\n",
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"structure_string": "H8 C8 S2 O2\n1.0\n5.104123 0.037714 -0.065639\n-0.611062 6.129087 -1.835010\n0.141011 -0.028691 6.555091\nH C S O\n8 8 2 2\ndirect\n0.326593 0.171742 0.985468 H\n0.609886 0.309653 0.427053 H\n0.566079 0.043169 0.264653 H\n0.378506 0.439102 0.146365 H\n0.326599 0.671730 0.485439 H\n0.609900 0.809713 0.927023 H\n0.566070 0.543208 0.764679 H\n0.378492 0.939099 0.646319 H\n0.846519 0.240832 0.148967 C\n0.846516 0.740809 0.648929 C\n0.351776 0.768251 0.653622 C\n0.590985 0.714212 0.758778 C\n0.590984 0.214189 0.258796 C\n0.351777 0.268250 0.153654 C\n0.101388 0.245137 0.270608 C\n0.101387 0.745139 0.770576 C\n0.087977 0.228096 0.514508 S\n0.087975 0.728105 0.014478 S\n0.856044 0.750860 0.464086 O\n0.856052 0.250949 0.964148 O\n",
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{
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}