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{
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"structure_string": "Sn2 H16 C8 Cl4\n1.0\n3.991139 -0.001482 0.003465\n0.001675 5.993984 0.782007\n-0.011835 -0.105332 13.383367\nSn H C Cl\n2 16 8 4\ndirect\n0.092592 0.160459 0.038815 Sn\n0.137482 0.660467 0.538814 Sn\n0.988766 0.542248 0.115856 H\n0.412896 0.456773 0.134463 H\n0.810123 0.270584 0.264114 H\n0.241009 0.042254 0.615879 H\n0.816914 0.956693 0.634457 H\n0.419671 0.770523 0.764130 H\n0.007547 0.668596 0.780166 H\n0.222232 0.168635 0.280166 H\n0.240937 0.278675 0.461742 H\n0.419681 0.550400 0.313497 H\n0.007569 0.652350 0.297447 H\n0.412846 0.864124 0.943166 H\n0.988698 0.778697 0.961759 H\n0.222256 0.152297 0.797460 H\n0.810133 0.050378 0.813499 H\n0.816867 0.364297 0.443154 H\n0.151731 0.403309 0.145505 C\n0.074734 0.318990 0.254872 C\n0.078097 0.903279 0.645512 C\n0.074737 0.001953 0.822750 C\n0.155070 0.501996 0.322741 C\n0.078066 0.417673 0.432106 C\n0.151698 0.917615 0.932117 C\n0.155066 0.818945 0.754879 C\n0.600678 0.429773 0.643168 Cl\n0.629166 0.391116 0.934454 Cl\n0.629188 0.929804 0.143171 Cl\n0.600649 0.891168 0.434452 Cl\n",
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{
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"created_at": "2022-09-04T14:36:55.549187Z",
"updated_at": "2022-09-04T14:36:55.549211Z",
"structure_string": "Ti1 H16 C9 O4\n1.0\n5.011753 0.104413 -0.731091\n-0.948948 6.577363 -1.619150\n-0.747406 0.189600 8.001488\nTi H C O\n1 16 9 4\ndirect\n0.304079 0.364663 0.699405 Ti\n0.633315 0.701222 -0.002126 H\n0.939445 0.599386 0.629650 H\n0.103743 0.068703 0.409430 H\n0.837944 0.179939 0.491068 H\n0.006427 -0.005625 0.591905 H\n0.858297 0.829477 0.198173 H\n0.116224 0.689718 0.857082 H\n0.267590 0.755512 0.689476 H\n0.451981 0.882370 0.328300 H\n0.728854 0.602879 0.371506 H\n0.547066 0.457421 0.163956 H\n0.056501 0.068864 0.066252 H\n0.845513 0.933895 0.862327 H\n0.425022 0.017168 -0.033971 H\n0.642097 0.145422 0.173709 H\n0.235619 0.728401 0.131028 H\n0.624295 0.022265 0.058667 C\n0.856812 0.062405 0.973716 C\n0.527105 0.570150 0.277588 C\n0.446852 0.759630 0.214636 C\n0.871820 0.242668 0.894945 C\n0.320545 0.470694 0.352756 C\n0.142501 0.639034 0.724632 C\n0.033441 0.119584 0.527681 C\n0.649819 0.822328 0.114987 C\n0.425560 0.425992 0.508161 O\n0.102938 0.304359 0.873942 O\n0.656164 0.321503 0.840009 O\n0.075146 0.428663 0.277035 O\n",
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{
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"created_at": "2022-09-04T14:37:01.488891Z",
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"structure_string": "Fe6 P24\n1.0\n4.651551 -0.005034 0.000000\n-1.410890 6.911683 0.000000\n0.000000 0.000000 13.769307\nFe P\n6 24\ndirect\n0.000000 0.000000 0.000000 Fe\n0.858138 0.619761 0.830317 Fe\n0.141862 0.880239 0.330317 Fe\n0.141862 0.380239 0.169683 Fe\n0.858138 0.119761 0.669683 Fe\n-0.000000 0.500000 0.500000 Fe\n0.928793 0.634403 0.224678 P\n0.071207 0.865597 0.724678 P\n0.632414 0.430013 0.943931 P\n0.367586 0.069987 0.443931 P\n0.367586 0.569987 0.056069 P\n0.632414 0.930013 0.556069 P\n0.737516 0.304512 0.387359 P\n0.262484 0.195489 0.887359 P\n0.262484 0.695489 0.612642 P\n0.507845 0.032623 0.780203 P\n0.344890 0.145382 0.107322 P\n0.344890 0.645382 0.392678 P\n0.655110 0.854618 0.892678 P\n0.804513 0.749356 0.446278 P\n0.195487 0.750644 0.946278 P\n0.195487 0.250644 0.553722 P\n0.804513 0.249357 0.053722 P\n0.928793 0.134403 0.275322 P\n0.071207 0.365597 0.775322 P\n0.507845 0.532623 0.719798 P\n0.492155 0.967377 0.219798 P\n0.492155 0.467378 0.280202 P\n0.655110 0.354618 0.607322 P\n0.737516 0.804511 0.112642 P\n",
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"structure_string": "Cd10 I20\n1.0\n4.285940 -0.000000 -0.000000\n-2.142970 3.711731 -0.000000\n0.000000 0.000000 68.795805\nCd I\n10 20\ndirect\n0.666667 0.333333 0.225012 Cd\n0.333333 0.666667 0.124995 Cd\n0.333333 0.666667 0.325020 Cd\n0.333333 0.666667 0.724997 Cd\n0.333333 0.666667 0.525005 Cd\n0.000000 0.000000 0.624979 Cd\n0.000000 0.000000 0.824984 Cd\n0.666667 0.333333 0.025008 Cd\n0.333333 0.666667 0.925003 Cd\n0.666667 0.333333 0.425016 Cd\n0.333333 0.666667 0.799781 I\n0.000000 0.000000 0.499793 I\n0.333333 0.666667 0.250213 I\n0.333333 0.666667 0.599776 I\n0.666667 0.333333 0.850201 I\n0.333333 0.666667 0.050208 I\n0.000000 0.000000 -0.000212 I\n0.666667 0.333333 0.150197 I\n0.000000 0.000000 0.899792 I\n0.666667 0.333333 0.950210 I\n0.666667 0.333333 0.350220 I\n0.000000 0.000000 0.399797 I\n0.000000 0.000000 0.199791 I\n0.000000 0.000000 0.699792 I\n0.000000 0.000000 0.299802 I\n0.666667 0.333333 0.650196 I\n0.333333 0.666667 0.450217 I\n0.000000 0.000000 0.099775 I\n0.666667 0.333333 0.550213 I\n0.666667 0.333333 0.750213 I\n",
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{
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{
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}