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{
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{
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{
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{
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"structure_string": "Cd1 H6 C5 O4\n1.0\n4.066197 -0.096767 0.805809\n1.868403 4.145200 0.179873\n0.151667 -0.041712 8.550413\nCd H C O\n1 6 5 4\ndirect\n0.908491 0.082441 0.768088 Cd\n0.468148 0.709535 0.424053 H\n0.586876 0.340182 0.321686 H\n0.859469 0.890725 0.352138 H\n0.027550 0.105226 0.114645 H\n0.021910 0.544661 0.225417 H\n0.422505 0.992724 0.184300 H\n0.191301 0.427034 0.536183 C\n0.361639 0.546124 0.386625 C\n0.101757 0.715194 0.277464 C\n0.246821 0.895561 0.144172 C\n0.456279 0.709704 0.987279 C\n0.181555 0.527113 0.675264 O\n0.067255 0.215305 0.518795 O\n0.614996 0.408947 0.988214 O\n0.460444 0.872352 0.859340 O\n",
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"created_at": "2022-09-04T14:38:42.684900Z",
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"created_at": "2022-09-04T14:36:04.997854Z",
"updated_at": "2022-09-04T14:36:04.997889Z",
"structure_string": "Ca8 B4 Cl4 O12\n1.0\n3.886988 0.000000 -0.541356\n0.000000 8.724066 0.000000\n0.044361 0.000000 12.303404\nCa B Cl O\n8 4 4 12\ndirect\n0.446507 0.621235 0.116772 Ca\n0.553493 0.378766 0.883227 Ca\n0.434345 0.115929 0.138033 Ca\n0.946507 0.878766 0.616772 Ca\n0.065655 0.615930 0.361966 Ca\n0.934345 0.384071 0.638033 Ca\n0.565655 0.884071 0.861966 Ca\n0.053493 0.121235 0.383228 Ca\n0.134101 0.634191 0.844352 B\n0.634101 0.865810 0.344352 B\n0.865899 0.365810 0.155647 B\n0.365899 0.134190 0.655647 B\n0.395293 0.626847 0.588114 Cl\n0.604708 0.373153 0.411886 Cl\n0.104707 0.126847 0.911886 Cl\n0.895293 0.873154 0.088114 Cl\n0.010255 0.490280 0.811624 O\n0.489745 0.990281 0.688375 O\n0.018206 0.770825 0.795171 O\n0.411804 0.641185 0.927805 O\n0.510255 0.009720 0.311624 O\n0.518207 0.729175 0.295171 O\n0.989745 0.509720 0.188375 O\n0.481793 0.270825 0.704828 O\n0.588196 0.358815 0.072194 O\n0.088196 0.141185 0.572194 O\n0.911804 0.858815 0.427805 O\n0.981794 0.229175 0.204828 O\n",
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"structure_string": "Ca9 Sn3 S15\n1.0\n8.483499 0.071715 3.428696\n3.663908 7.651841 3.428696\n0.449990 0.286112 11.338382\nCa Sn S\n9 3 15\ndirect\n0.269451 0.770960 0.644162 Ca\n0.301428 0.301428 0.703351 Ca\n0.692723 0.692723 0.383382 Ca\n0.984665 0.559818 0.001743 Ca\n0.522873 0.522873 -0.032058 Ca\n0.282062 0.708155 0.293439 Ca\n0.708155 0.282063 0.293439 Ca\n0.770960 0.269451 0.644162 Ca\n0.559818 0.984665 0.001743 Ca\n0.000539 0.000539 -0.014681 Sn\n0.221661 0.221661 0.380400 Sn\n0.793009 0.793009 0.622764 Sn\n0.369823 0.369823 0.902551 S\n0.830996 0.830997 0.135505 S\n0.625009 0.625009 0.673991 S\n0.295228 0.865229 0.011857 S\n0.865229 0.295228 0.011857 S\n0.629170 0.629170 0.123136 S\n0.485194 0.485194 0.497387 S\n-0.057354 -0.057354 0.820190 S\n0.389522 0.389522 0.241136 S\n0.927154 0.353100 0.355055 S\n0.353099 0.927154 0.355055 S\n0.033662 0.613254 0.724532 S\n0.883210 0.883210 0.383755 S\n0.165962 0.165962 0.616220 S\n0.613254 0.033662 0.724532 S\n",
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