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{
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"structure_string": "C40 Cl32\n1.0\n7.777979 0.000000 0.000000\n0.000000 9.929241 0.000000\n0.000000 7.390667 18.438372\nC Cl\n40 32\ndirect\n0.888131 0.742298 0.345781 C\n0.111869 0.257702 0.654219 C\n0.388131 0.257702 0.154219 C\n0.611869 0.742298 0.845781 C\n0.869773 0.876890 0.192741 C\n0.130227 0.123110 0.807259 C\n0.369773 0.123110 0.307259 C\n0.630227 0.876890 0.692741 C\n0.864781 0.892160 0.313996 C\n0.135219 0.107840 0.686004 C\n0.364781 0.107840 0.186004 C\n0.635219 0.892160 0.813996 C\n0.357856 0.817554 0.376556 C\n0.642144 0.182446 0.623444 C\n0.857856 0.182446 0.123444 C\n0.142144 0.817554 0.876556 C\n0.317373 0.905677 0.416362 C\n0.682627 0.094323 0.583638 C\n0.817373 0.094323 0.083638 C\n0.182627 0.905677 0.916362 C\n0.925763 0.661076 0.302253 C\n0.074237 0.338924 0.697747 C\n0.425763 0.338924 0.197747 C\n0.574237 0.661076 0.802253 C\n0.821333 0.943734 0.117822 C\n0.178667 0.056266 0.882178 C\n0.321333 0.056266 0.382178 C\n0.678667 0.943734 0.617822 C\n0.918222 0.727053 0.227149 C\n0.081778 0.272947 0.772851 C\n0.418222 0.272947 0.272851 C\n0.581778 0.727053 0.727149 C\n0.378558 0.878934 0.301483 C\n0.621442 0.121066 0.698517 C\n0.878558 0.121066 0.198517 C\n0.121442 0.878934 0.801483 C\n0.870850 0.966050 0.236394 C\n0.129150 0.033950 0.763606 C\n0.370850 0.033950 0.263606 C\n0.629150 0.966050 0.736394 C\n0.876960 0.366562 0.078136 Cl\n0.123040 0.633438 0.921864 Cl\n0.376960 0.633438 0.421864 Cl\n0.623040 0.366562 0.578136 Cl\n0.983091 0.481787 0.343104 Cl\n0.016909 0.518213 0.656896 Cl\n0.483091 0.518213 0.156896 Cl\n0.516909 0.481787 0.843104 Cl\n0.747864 0.844050 0.068950 Cl\n0.252136 0.155950 0.931050 Cl\n0.247864 0.155950 0.431050 Cl\n0.752136 0.844050 0.568950 Cl\n0.426211 0.760818 0.258974 Cl\n0.573789 0.239182 0.741026 Cl\n0.926211 0.239182 0.241026 Cl\n0.073789 0.760818 0.758974 Cl\n0.814163 0.978957 0.372018 Cl\n0.185837 0.021043 0.627982 Cl\n0.314163 0.021043 0.127982 Cl\n0.685837 0.978957 0.872018 Cl\n0.989883 0.627999 0.177765 Cl\n0.010117 0.372001 0.822235 Cl\n0.489883 0.372001 0.322235 Cl\n0.510117 0.627999 0.677765 Cl\n0.234888 0.825547 0.006402 Cl\n0.765112 0.174453 0.993598 Cl\n0.734888 0.174453 0.493598 Cl\n0.265112 0.825547 0.506402 Cl\n0.876804 0.654002 0.438161 Cl\n0.123196 0.345998 0.561839 Cl\n0.376804 0.345998 0.061839 Cl\n0.623196 0.654002 0.938161 Cl\n",
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"formula_full": "C40 Cl32",
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{
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"structure_string": "Cr2 Co6 C32 N2 O28\n1.0\n10.967248 0.000000 0.000000\n0.000000 9.038197 0.000000\n0.000000 0.056428 11.724375\nCr Co C N O\n2 6 32 2 28\ndirect\n0.750000 0.087085 0.884238 Cr\n0.250000 0.912915 0.115762 Cr\n0.135580 0.753476 0.636409 Co\n0.250000 0.536515 0.717596 Co\n0.635580 0.246524 0.363591 Co\n0.864420 0.246524 0.363591 Co\n0.364420 0.753476 0.636409 Co\n0.750000 0.463485 0.282404 Co\n0.884615 0.054062 0.380797 C\n0.250000 0.970955 0.271088 C\n0.750000 0.153913 0.041885 C\n0.495226 0.281198 0.294461 C\n0.250000 0.707979 0.157626 C\n0.995226 0.718802 0.705539 C\n0.004774 0.281198 0.294461 C\n0.250000 0.739844 0.759006 C\n0.250000 0.846087 0.958115 C\n0.250000 0.112425 0.060808 C\n0.750000 0.887575 0.939192 C\n0.629682 0.533995 0.197615 C\n0.923373 0.082186 0.879075 C\n0.870318 0.533995 0.197615 C\n0.115385 0.945938 0.619203 C\n0.384615 0.945938 0.619203 C\n0.107606 0.683231 0.494972 C\n0.423373 0.917814 0.120925 C\n0.250000 0.419415 0.592577 C\n0.504774 0.718802 0.705539 C\n0.129682 0.466005 0.802385 C\n0.576627 0.082186 0.879075 C\n0.076627 0.917814 0.120925 C\n0.750000 0.580585 0.407423 C\n0.750000 0.260156 0.240994 C\n0.750000 0.029045 0.728912 C\n0.370318 0.466005 0.802385 C\n0.607606 0.316769 0.505028 C\n0.615385 0.054062 0.380797 C\n0.750000 0.292021 0.842374 C\n0.392394 0.683231 0.494972 C\n0.892394 0.316769 0.505028 C\n0.750000 0.199842 0.137122 N\n0.250000 0.800158 0.862878 N\n0.447153 0.421129 0.860682 O\n0.598134 0.928305 0.392214 O\n0.971270 0.925061 0.127329 O\n0.528730 0.925061 0.127329 O\n0.028730 0.074939 0.872671 O\n0.902521 0.700630 0.750625 O\n0.086118 0.638505 0.404631 O\n0.250000 0.582981 0.178997 O\n0.413882 0.638505 0.404631 O\n0.401866 0.071695 0.607786 O\n0.250000 0.346313 0.511699 O\n0.750000 0.768699 0.976072 O\n0.750000 0.995528 0.633221 O\n0.750000 0.653687 0.488301 O\n0.913882 0.361495 0.595369 O\n0.586118 0.361495 0.595369 O\n0.098134 0.071695 0.607786 O\n0.052847 0.421129 0.860682 O\n0.750000 0.417019 0.821003 O\n0.250000 0.004472 0.366779 O\n0.597479 0.700630 0.750625 O\n0.402521 0.299370 0.249375 O\n0.947153 0.578871 0.139318 O\n0.471270 0.074939 0.872671 O\n0.097479 0.299370 0.249375 O\n0.250000 0.231301 0.023928 O\n0.901866 0.928305 0.392214 O\n0.552847 0.578871 0.139318 O\n",
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"formula_full": "Cr2 Co6 C32 N2 O28",
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{
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"created_at": "2022-09-04T14:46:41.557983Z",
"structure_string": "Ca4 N8 O40\n1.0\n8.796513 0.000000 0.000000\n0.000000 6.423116 0.000000\n0.000000 4.757005 14.239092\nCa N O\n4 8 40\ndirect\n0.913787 0.137816 0.851295 Ca\n0.586213 0.137816 0.351295 Ca\n0.086213 0.862184 0.148705 Ca\n0.413787 0.862184 0.648705 Ca\n0.878356 0.442053 0.668756 N\n0.621644 0.442053 0.168756 N\n0.121644 0.557947 0.331244 N\n0.378356 0.557947 0.831244 N\n0.239338 0.988844 0.918843 N\n0.260662 0.988844 0.418843 N\n0.760662 0.011156 0.081157 N\n0.739338 0.011156 0.581157 N\n0.000127 0.429601 0.717634 O\n0.499873 0.429601 0.217634 O\n0.999873 0.570399 0.282366 O\n0.500127 0.570399 0.782366 O\n0.765293 0.325389 0.712077 O\n0.734707 0.325389 0.212077 O\n0.234707 0.674611 0.287923 O\n0.265293 0.674611 0.787923 O\n0.870903 0.556856 0.586217 O\n0.629097 0.556856 0.086217 O\n0.129097 0.443144 0.413783 O\n0.370903 0.443144 0.913783 O\n0.141653 0.950914 0.987214 O\n0.358347 0.950914 0.487214 O\n0.858347 0.049086 0.012786 O\n0.641653 0.049086 0.512786 O\n0.183415 0.090285 0.837808 O\n0.316585 0.090285 0.337808 O\n0.816585 0.909715 0.162192 O\n0.683415 0.909715 0.662192 O\n0.371721 0.931261 0.931190 O\n0.128279 0.931261 0.431190 O\n0.628279 0.068739 0.068810 O\n0.871721 0.068739 0.568810 O\n0.792398 0.686510 0.848624 O\n0.707602 0.686510 0.348624 O\n0.207602 0.313490 0.151376 O\n0.292398 0.313490 0.651376 O\n0.720290 0.786306 0.898504 O\n0.779710 0.786306 0.398504 O\n0.279710 0.213694 0.101496 O\n0.220290 0.213694 0.601496 O\n0.033598 0.506783 0.963095 O\n0.466402 0.506783 0.463095 O\n0.966402 0.493217 0.036905 O\n0.533598 0.493217 0.536905 O\n0.895720 0.802813 0.791981 O\n0.604280 0.802813 0.291981 O\n0.104280 0.197187 0.208019 O\n0.395720 0.197187 0.708019 O\n",
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{
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{
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