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{
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{
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{
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"created_at": "2022-09-04T14:46:21.517673Z",
"structure_string": "Ca6 H36 C24 O36\n1.0\n6.113459 0.000000 0.000000\n-0.105044 10.450673 0.000000\n-2.972298 -5.057591 15.741965\nCa H C O\n6 36 24 36\ndirect\n0.252160 0.118013 0.996029 Ca\n0.747840 0.881987 0.003971 Ca\n0.953152 0.804689 0.390479 Ca\n0.046848 0.195311 0.609521 Ca\n0.455520 0.575092 0.394220 Ca\n0.544480 0.424908 0.605780 Ca\n0.479756 0.334447 0.962626 H\n0.520244 0.665553 0.037374 H\n0.542943 0.398086 0.061802 H\n0.457057 0.601914 0.938198 H\n0.812968 0.259027 0.982954 H\n0.187032 0.740973 0.017046 H\n0.932021 0.305117 0.919431 H\n0.067979 0.694883 0.080569 H\n0.282034 0.342390 0.243406 H\n0.717966 0.657610 0.756594 H\n0.154285 0.972177 0.634986 H\n0.845715 0.027823 0.365014 H\n0.748591 0.251384 0.205104 H\n0.251409 0.748616 0.794896 H\n0.916270 0.131031 0.233399 H\n0.083730 0.868969 0.766601 H\n0.031679 0.185100 0.364660 H\n0.968321 0.814900 0.635340 H\n0.839228 0.308632 0.391530 H\n0.160772 0.691368 0.608470 H\n0.497062 0.815519 0.631656 H\n0.502938 0.184481 0.368344 H\n0.670064 0.922922 0.603518 H\n0.329936 0.077078 0.396482 H\n0.747629 0.037777 0.791791 H\n0.252371 0.962223 0.208209 H\n0.580134 0.887525 0.760737 H\n0.419866 0.112475 0.239263 H\n0.881224 0.503281 0.856586 H\n0.118776 0.496719 0.143414 H\n0.883579 0.359566 0.790670 H\n0.116421 0.640434 0.209330 H\n0.229213 0.422827 0.865853 H\n0.770787 0.577173 0.134147 H\n0.431510 0.399259 0.819556 H\n0.568490 0.600741 0.180444 H\n0.026378 0.206009 0.142780 C\n0.973622 0.793991 0.857220 C\n0.922921 0.228832 0.221630 C\n0.077079 0.771168 0.778370 C\n0.038794 0.338931 0.303637 C\n0.961206 0.661069 0.696363 C\n0.010390 0.293272 0.380460 C\n0.989610 0.706728 0.619540 C\n0.165046 0.359133 0.464700 C\n0.834954 0.640867 0.535300 C\n0.927045 0.474462 0.313550 C\n0.072955 0.525538 0.686450 C\n0.340496 0.888253 0.531901 C\n0.659504 0.111747 0.468099 C\n0.501911 0.909895 0.615659 C\n0.498089 0.090105 0.384341 C\n0.461964 0.027553 0.692239 C\n0.538036 0.972447 0.307761 C\n0.573301 0.996766 0.774418 C\n0.426699 0.003234 0.225582 C\n0.470651 0.044827 0.853864 C\n0.529349 0.955173 0.146136 C\n0.568960 0.160479 0.687505 C\n0.431040 0.839521 0.312495 C\n0.180573 0.289999 0.141722 O\n0.819427 0.710001 0.858278 O\n0.524802 0.310665 0.015489 O\n0.475198 0.689335 0.984511 O\n0.960509 0.101446 0.080659 O\n0.039491 0.898554 0.919341 O\n0.944688 0.246193 0.955819 O\n0.055312 0.753807 0.044181 O\n0.184816 0.294299 0.518943 O\n0.815184 0.705701 0.481057 O\n0.272727 0.471022 0.480347 O\n0.727273 0.528978 0.519653 O\n0.054431 0.579994 0.327609 O\n0.945569 0.420006 0.672391 O\n0.719453 0.471683 0.309995 O\n0.280547 0.528317 0.690005 O\n0.273116 0.356236 0.304860 O\n0.726884 0.643764 0.695140 O\n0.218069 0.981141 0.519138 O\n0.781931 0.018859 0.480862 O\n0.323872 0.772614 0.477123 O\n0.676128 0.227386 0.522877 O\n0.536760 0.990255 0.912610 O\n0.463240 0.009745 0.087390 O\n0.328085 0.131623 0.860874 O\n0.671915 0.868377 0.139126 O\n0.442847 0.253402 0.677085 O\n0.557153 0.746598 0.322915 O\n0.778322 0.167200 0.693647 O\n0.221678 0.832800 0.306353 O\n0.224091 0.037122 0.688882 O\n0.775909 0.962878 0.311118 O\n0.933344 0.412864 0.850508 O\n0.066656 0.587136 0.149492 O\n0.394280 0.436360 0.875823 O\n0.605720 0.563640 0.124177 O\n",
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"formula_full": "Ca6 H36 C24 O36",
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{
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"created_at": "2022-09-04T14:41:15.066524Z",
"structure_string": "Lu8 Co4 B24\n1.0\n3.489023 0.000000 0.000000\n0.000000 8.983727 0.000000\n0.000000 0.000000 11.324771\nLu Co B\n8 4 24\ndirect\n0.000000 0.823793 0.085310 Lu\n0.000000 0.176207 0.914690 Lu\n0.000000 0.323793 0.414690 Lu\n0.000000 0.676207 0.585310 Lu\n0.000000 0.443598 0.129108 Lu\n0.000000 0.556402 0.870892 Lu\n0.000000 0.943598 0.370892 Lu\n0.000000 0.056402 0.629108 Lu\n0.000000 0.139918 0.179444 Co\n0.000000 0.860082 0.820556 Co\n0.000000 0.639918 0.320556 Co\n0.000000 0.360082 0.679444 Co\n0.500000 0.053674 0.066358 B\n0.500000 0.946326 0.933642 B\n0.500000 0.553674 0.433642 B\n0.500000 0.446326 0.566358 B\n0.500000 0.247668 0.081307 B\n0.500000 0.752332 0.918693 B\n0.500000 0.747668 0.418693 B\n0.500000 0.252332 0.581307 B\n0.500000 0.293135 0.236002 B\n0.500000 0.706865 0.763998 B\n0.500000 0.793135 0.263998 B\n0.500000 0.206865 0.736002 B\n0.500000 0.133944 0.315913 B\n0.500000 0.866056 0.684087 B\n0.500000 0.633944 0.184087 B\n0.500000 0.366056 0.815913 B\n0.500000 0.485386 0.288500 B\n0.500000 0.514614 0.711500 B\n0.500000 0.985386 0.211500 B\n0.500000 0.014614 0.788500 B\n0.500000 0.107011 0.471035 B\n0.500000 0.892989 0.528965 B\n0.500000 0.607011 0.028965 B\n0.500000 0.392989 0.971035 B\n",
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{
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{
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{
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{
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{
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"structure_string": "Co8 O16\n1.0\n2.869170 0.000000 0.000000\n0.000000 8.308601 0.000000\n0.000000 0.000000 9.925634\nCo O\n8 16\ndirect\n0.750000 0.912166 0.601363 Co\n0.250000 0.587834 0.101363 Co\n0.750000 0.412166 0.898637 Co\n0.250000 0.087834 0.398637 Co\n0.250000 0.052558 0.884181 Co\n0.750000 0.947442 0.115819 Co\n0.250000 0.552558 0.615819 Co\n0.750000 0.447442 0.384181 Co\n0.750000 0.413950 0.568898 O\n0.250000 0.586050 0.431102 O\n0.750000 0.913950 0.931102 O\n0.250000 0.086050 0.068898 O\n0.750000 0.536650 0.214020 O\n0.250000 0.463350 0.785980 O\n0.750000 0.036650 0.285980 O\n0.250000 0.963350 0.714020 O\n0.750000 0.115723 0.522171 O\n0.250000 0.884277 0.477829 O\n0.750000 0.615723 0.977829 O\n0.250000 0.384277 0.022171 O\n0.250000 0.305960 0.351931 O\n0.750000 0.694040 0.648069 O\n0.750000 0.194040 0.851931 O\n0.250000 0.805960 0.148069 O\n",
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{
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}