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{
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{
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{
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{
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{
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"created_at": "2022-09-04T14:43:13.068858Z",
"structure_string": "Ca8 B12 H16 Cl4 O32\n1.0\n0.000000 0.000000 7.322141\n8.137086 -0.115701 0.000000\n0.692776 12.701465 0.000000\nCa B H Cl O\n8 12 16 4 32\ndirect\n0.341716 0.096941 0.738635 Ca\n0.841716 0.903059 0.761365 Ca\n0.658284 0.903059 0.261365 Ca\n0.158284 0.096941 0.238635 Ca\n0.144152 0.518919 0.799706 Ca\n0.644152 0.481081 0.700294 Ca\n0.855848 0.481081 0.200294 Ca\n0.355848 0.518919 0.299706 Ca\n0.501266 0.792056 0.889415 B\n0.001266 0.207944 0.610585 B\n0.498734 0.207944 0.110585 B\n0.998734 0.792056 0.389415 B\n0.277185 0.396645 0.587997 B\n0.777185 0.603355 0.912003 B\n0.722815 0.603355 0.412003 B\n0.222815 0.396645 0.087997 B\n0.407869 0.326630 0.931261 B\n0.907869 0.673370 0.568739 B\n0.592131 0.673370 0.068739 B\n0.092131 0.326630 0.431261 B\n0.461983 0.228609 0.534259 H\n0.961983 0.771391 0.965741 H\n0.538017 0.771391 0.465741 H\n0.038017 0.228609 0.034259 H\n0.071091 0.959647 0.580740 H\n0.571091 0.040353 0.919260 H\n0.928909 0.040353 0.419260 H\n0.428909 0.959647 0.080740 H\n0.229229 0.829671 0.877712 H\n0.729229 0.170329 0.622288 H\n0.770771 0.170329 0.122288 H\n0.270771 0.829671 0.377712 H\n0.289248 0.648642 0.595020 H\n0.789248 0.351358 0.904980 H\n0.710752 0.351358 0.404980 H\n0.210752 0.648642 0.095020 H\n0.067561 0.090192 0.887562 Cl\n0.567561 0.909808 0.612438 Cl\n0.932439 0.909808 0.112438 Cl\n0.432439 0.090192 0.387562 Cl\n0.444252 0.288058 0.599602 O\n0.944253 0.711942 0.900398 O\n0.555747 0.711942 0.400398 O\n0.055747 0.288058 0.099602 O\n0.423783 0.337648 0.824773 O\n0.923783 0.662352 0.675227 O\n0.576217 0.662352 0.175227 O\n0.076217 0.337648 0.324773 O\n0.332818 0.552982 0.636554 O\n0.832818 0.447018 0.863446 O\n0.667182 0.447018 0.363446 O\n0.167182 0.552982 0.136554 O\n0.320239 0.770336 0.837736 O\n0.820239 0.229664 0.662264 O\n0.679761 0.229664 0.162264 O\n0.179761 0.770336 0.337736 O\n0.272275 0.421611 0.977856 O\n0.772275 0.578389 0.522144 O\n0.727725 0.578389 0.022144 O\n0.227725 0.421611 0.477856 O\n0.130529 0.323247 0.654089 O\n0.630529 0.676753 0.845911 O\n0.869471 0.676753 0.345911 O\n0.369471 0.323247 0.154089 O\n0.067410 0.033512 0.640267 O\n0.567410 0.966488 0.859733 O\n0.932590 0.966488 0.359733 O\n0.432590 0.033512 0.140267 O\n0.483581 0.777117 0.005222 O\n0.983581 0.222883 0.494778 O\n0.516419 0.222883 0.994778 O\n0.016419 0.777117 0.505222 O\n",
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{
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