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"structure_string": "Ca2 Al4 Si2 O12\n1.0\n0.019980 0.000000 5.318751\n-4.654223 4.342904 1.324817\n-4.654223 -4.342904 1.324817\nCa Al Si O\n2 4 2 12\ndirect\n0.250001 0.311804 0.688196 Ca\n0.750001 0.688398 0.311601 Ca\n0.213809 0.813940 0.615168 Al\n0.286192 0.384832 0.186059 Al\n0.250001 0.911238 0.088761 Al\n0.750001 0.089790 0.910209 Al\n0.782079 0.194644 0.387056 Si\n0.717922 0.612943 0.805355 Si\n0.632302 0.804817 0.968989 O\n0.014439 0.327781 0.381189 O\n0.692888 0.096346 0.626494 O\n0.867699 0.031010 0.195182 O\n0.527004 0.372847 0.341464 O\n0.324502 0.899513 0.356727 O\n0.387202 0.178902 0.012938 O\n0.972997 0.658535 0.627152 O\n0.807113 0.373506 0.903653 O\n0.112799 0.987061 0.821098 O\n0.175499 0.643272 0.100486 O\n0.485562 0.618810 0.672218 O\n",
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{
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"structure_string": "Pr8 S8 O4\n1.0\n0.000000 7.143038 0.002706\n7.254654 0.000000 0.000000\n0.000000 -1.291975 -8.522252\nPr S O\n8 8 4\ndirect\n0.750876 0.443357 0.136757 Pr\n0.250876 0.056642 0.136757 Pr\n0.687689 0.866401 0.417572 Pr\n0.187689 0.633598 0.417572 Pr\n0.812310 0.366401 0.582427 Pr\n0.312310 0.133599 0.582427 Pr\n0.749124 0.943357 0.863242 Pr\n0.249124 0.556642 0.863243 Pr\n0.472120 0.224497 0.921128 S\n0.972121 0.275502 0.921128 S\n0.061301 0.854181 0.675988 S\n0.561301 0.645818 0.675988 S\n0.027879 0.724497 0.078871 S\n0.938698 0.145819 0.324011 S\n0.527879 0.775502 0.078871 S\n0.438698 0.354181 0.324011 S\n0.649311 0.088309 0.617492 O\n0.850688 0.588309 0.382507 O\n0.350688 0.911690 0.382507 O\n0.149311 0.411691 0.617493 O\n",
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{
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"structure_string": "Mg2 Fe2 Si4 O12\n1.0\n4.896522 -0.148769 0.849474\n0.979578 6.425005 0.551901\n-0.250319 0.010258 6.517829\nMg Fe Si O\n2 2 4 12\ndirect\n0.750000 0.273908 0.726092 Mg\n0.250001 0.726093 0.273908 Mg\n0.249999 0.081508 0.918493 Fe\n0.749999 0.918494 0.081506 Fe\n0.285621 0.208848 0.396038 Si\n0.214378 0.603963 0.791152 Si\n0.785621 0.396038 0.208848 Si\n0.714378 0.791153 0.603961 Si\n0.650430 0.969797 0.772107 O\n0.849569 0.227891 0.030203 O\n0.629406 0.619009 0.146284 O\n0.870593 0.853717 0.380991 O\n0.370593 0.380991 0.853716 O\n-0.086558 0.584875 0.703620 O\n0.086557 0.415126 0.296380 O\n0.413443 0.703621 0.584875 O\n0.349568 0.030204 0.227892 O\n0.586558 0.296381 0.415124 O\n0.129407 0.146283 0.619008 O\n0.150431 0.772109 0.969796 O\n",
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"structure_string": "Al4 Cu4 O12\n1.0\n0.000000 4.691396 0.001200\n6.750099 0.000000 0.000000\n0.000000 -0.490699 -6.204032\nAl Cu O\n4 4 12\ndirect\n0.481694 0.199032 0.747306 Al\n0.518307 0.699032 0.752694 Al\n0.481694 0.300968 0.247306 Al\n0.518307 0.800968 0.252694 Al\n-0.000000 0.000000 0.500000 Cu\n-0.000000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.000000 Cu\n0.695233 0.811266 0.998365 O\n0.695233 0.688734 0.498366 O\n0.660718 0.055734 0.330070 O\n0.660717 0.444266 0.830070 O\n0.339283 0.555734 0.169930 O\n0.149674 0.895588 0.258819 O\n0.304768 0.311266 0.501634 O\n0.304768 0.188734 0.001634 O\n0.850327 0.104412 0.741181 O\n0.149674 0.604412 0.758819 O\n0.339283 0.944266 0.669930 O\n0.850327 0.395588 0.241181 O\n",
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"structure_string": "Li2 Al2 Si4 O12\n1.0\n5.086563 0.016106 1.369840\n1.507454 6.155196 0.793730\n0.020708 0.017262 6.386559\nLi Al Si O\n2 2 4 12\ndirect\n0.750000 0.271476 0.728524 Li\n0.249999 0.728525 0.271476 Li\n0.250000 0.092405 0.907595 Al\n0.749999 0.907596 0.092405 Al\n0.260054 0.612237 0.800306 Si\n0.239946 0.199695 0.387763 Si\n0.739945 0.387764 0.199694 Si\n0.760053 0.800306 0.612237 Si\n0.857428 0.192607 0.025481 O\n0.142571 0.807394 0.974519 O\n0.357429 0.025481 0.192607 O\n0.798990 0.903088 0.366707 O\n0.701008 0.633294 0.096913 O\n0.298991 0.366707 0.903087 O\n0.567953 0.625552 0.662939 O\n0.067953 0.662939 0.625552 O\n0.432046 0.374449 0.337062 O\n0.932046 0.337062 0.374449 O\n0.201009 0.096913 0.633293 O\n0.642570 0.974520 0.807394 O\n",
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"structure_string": "Li5 Nb2 Fe3 O10\n1.0\n5.224726 0.026389 0.013028\n0.897134 5.142089 0.015049\n2.471679 2.181556 7.093406\nLi Nb Fe O\n5 2 3 10\ndirect\n0.502674 0.772428 0.405564 Li\n0.525131 0.575418 0.788076 Li\n-0.000001 0.500000 0.500000 Li\n0.474869 0.424583 0.211925 Li\n0.497325 0.227573 0.594437 Li\n0.010002 0.888804 0.711710 Nb\n0.989997 0.111197 0.288291 Nb\n0.997265 0.300490 0.918803 Fe\n0.002734 0.699511 0.081198 Fe\n0.500000 0.000000 0.000000 Fe\n0.263997 0.354177 0.057376 O\n0.259422 0.965990 0.842359 O\n0.736003 0.645824 0.942625 O\n0.776778 0.860319 0.545201 O\n0.236811 0.765827 0.248906 O\n0.245914 0.565789 0.657403 O\n0.754086 0.434212 0.342598 O\n0.763189 0.234174 0.751095 O\n0.223221 0.139682 0.454800 O\n0.740578 0.034011 0.157642 O\n",
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{
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"structure_string": "Sr2 Ca2 C4 O12\n1.0\n5.290251 0.000000 0.000000\n0.000000 6.432407 0.000000\n0.000000 0.000000 7.315047\nSr Ca C O\n2 2 4 12\ndirect\n0.000000 0.112407 0.255679 Sr\n0.000000 0.887594 0.755680 Sr\n0.500000 0.482120 0.549420 Ca\n0.500000 0.517880 0.049420 Ca\n0.500000 0.962269 0.076696 C\n0.500000 0.037731 0.576696 C\n0.000000 0.587619 0.338053 C\n0.000000 0.412381 0.838053 C\n0.000000 0.241114 0.924481 O\n0.210757 0.506912 0.795769 O\n0.500000 0.151979 0.134371 O\n0.711475 0.137319 0.551882 O\n0.711475 0.862681 0.051882 O\n0.288524 0.862681 0.051882 O\n0.210757 0.493088 0.295768 O\n0.789242 0.506912 0.795769 O\n0.500000 0.848021 0.634371 O\n0.789242 0.493088 0.295768 O\n0.000000 0.758886 0.424480 O\n0.288524 0.137319 0.551882 O\n",
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{
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"created_at": "2022-09-04T14:37:28.871119Z",
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"structure_string": "Cr12 N8\n1.0\n4.763773 0.000000 0.000000\n0.000000 5.158279 0.000000\n0.000000 0.000000 7.404823\nCr N\n12 8\ndirect\n0.384007 0.601840 0.833788 Cr\n0.430549 0.750000 0.500000 Cr\n0.069451 0.250000 0.000000 Cr\n0.930549 0.750000 0.000000 Cr\n0.615993 0.101840 0.833788 Cr\n0.884006 0.601840 0.666211 Cr\n0.569450 0.250000 0.500000 Cr\n0.615993 0.398160 0.166211 Cr\n0.384007 0.898160 0.166211 Cr\n0.115993 0.398160 0.333789 Cr\n0.115993 0.101840 0.666211 Cr\n0.884006 0.898160 0.333789 Cr\n0.751897 0.547128 0.392539 N\n0.251898 0.547128 0.107461 N\n0.248102 0.047128 0.392539 N\n0.248102 0.452872 0.607461 N\n0.251898 0.952872 0.892539 N\n0.748102 0.452872 0.892539 N\n0.751897 0.952872 0.607461 N\n0.748102 0.047128 0.107461 N\n",
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{
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"created_at": "2022-09-04T14:37:28.730772Z",
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"structure_string": "Ca1 Co4 Cu3 O12\n1.0\n5.839803 -0.000000 -2.064682\n-2.919901 5.057418 -2.064682\n-0.000000 -0.000000 6.194046\nCa Co Cu O\n1 4 3 12\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.000000 0.500000 Co\n0.000000 0.500000 0.000000 Co\n0.500000 0.500000 0.500001 Co\n0.500000 0.000000 0.000000 Co\n0.500000 0.500000 0.000000 Cu\n0.000000 0.500000 0.500001 Cu\n0.500000 0.000000 0.500000 Cu\n0.694519 0.517756 0.823237 O\n0.176764 0.305481 0.482244 O\n0.517756 0.823236 0.694520 O\n0.694519 0.871283 0.176765 O\n0.128717 0.823236 0.305482 O\n0.176764 0.694519 0.871284 O\n0.305481 0.482244 0.176764 O\n0.823236 0.694519 0.517757 O\n0.871283 0.176764 0.694520 O\n0.823236 0.305481 0.128717 O\n0.482244 0.176764 0.305481 O\n0.305481 0.128717 0.823237 O\n",
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}