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{
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{
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{
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"structure_string": "Pb12 I8 O48\n1.0\n9.374691 0.000000 -1.587116\n0.000000 8.812991 0.000000\n0.158179 0.000000 12.585526\nPb I O\n12 8 48\ndirect\n0.142161 0.363187 0.643086 Pb\n0.857839 0.863187 0.856914 Pb\n0.857839 0.636813 0.356914 Pb\n0.142161 0.136813 0.143086 Pb\n0.267556 0.958213 0.517376 Pb\n0.732444 0.458213 0.982624 Pb\n0.732444 0.041787 0.482624 Pb\n0.267556 0.541787 0.017376 Pb\n0.358049 0.152208 0.865066 Pb\n0.641951 0.652208 0.634934 Pb\n0.641951 0.847792 0.134934 Pb\n0.358049 0.347791 0.365066 Pb\n0.016102 0.245935 0.858396 I\n0.983898 0.745935 0.641604 I\n0.983898 0.754065 0.141604 I\n0.016102 0.254065 0.358396 I\n0.492056 0.265470 0.651924 I\n0.507944 0.765470 0.848076 I\n0.507944 0.734530 0.348076 I\n0.492056 0.234530 0.151924 I\n0.071082 0.203885 0.510389 O\n0.928918 0.703885 0.989611 O\n0.928918 0.796115 0.489611 O\n0.071082 0.296115 0.010389 O\n0.016100 0.721541 0.794628 O\n0.983900 0.221541 0.705372 O\n0.983900 0.278459 0.205372 O\n0.016100 0.778459 0.294628 O\n0.143384 0.076154 0.884203 O\n0.856616 0.576154 0.615797 O\n0.856616 0.923846 0.115797 O\n0.143384 0.423846 0.384203 O\n0.105538 0.907229 0.646592 O\n0.894462 0.407229 0.853408 O\n0.894462 0.092771 0.353408 O\n0.105538 0.592771 0.146592 O\n0.130158 0.607495 0.619485 O\n0.869842 0.107495 0.880515 O\n0.869842 0.392506 0.380515 O\n0.130158 0.892505 0.119485 O\n0.187159 0.363629 0.831907 O\n0.812841 0.863629 0.668093 O\n0.812841 0.636371 0.168093 O\n0.187159 0.136371 0.331907 O\n0.322072 0.145308 0.679487 O\n0.677928 0.645308 0.820513 O\n0.677928 0.854692 0.320513 O\n0.322072 0.354692 0.179487 O\n0.356358 0.428003 0.616032 O\n0.643642 0.928003 0.883968 O\n0.643642 0.571997 0.383968 O\n0.356358 0.071997 0.116032 O\n0.439780 0.200703 0.500265 O\n0.560220 0.700703 0.999735 O\n0.560220 0.799297 0.499735 O\n0.439780 0.299297 0.000265 O\n0.518180 0.301008 0.803589 O\n0.481820 0.801008 0.696411 O\n0.481820 0.698992 0.196411 O\n0.518180 0.198992 0.303589 O\n0.616721 0.109221 0.659332 O\n0.383279 0.609221 0.840668 O\n0.383279 0.890779 0.340668 O\n0.616721 0.390779 0.159332 O\n0.629910 0.407194 0.621646 O\n0.370090 0.907194 0.878354 O\n0.370090 0.592806 0.378354 O\n0.629910 0.092806 0.121646 O\n",
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"formula_full": "Pb12 I8 O48",
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{
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"structure_string": "Ni4 O8\n1.0\n4.911277 -2.864040 0.000000\n4.911277 2.864040 0.000000\n3.241096 0.000000 4.671045\nNi O\n4 8\ndirect\n0.245431 0.245431 0.245431 Ni\n0.628110 0.119932 0.628110 Ni\n0.628110 0.628110 0.119932 Ni\n0.119932 0.628110 0.628110 Ni\n0.848768 0.372490 0.372490 O\n0.372490 0.372490 0.848768 O\n0.372490 0.848768 0.372490 O\n0.382382 0.382382 0.382382 O\n0.864243 0.864243 0.864243 O\n0.870101 0.420395 0.870101 O\n0.870101 0.870101 0.420395 O\n0.420395 0.870101 0.870101 O\n",
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{
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"structure_string": "Fe10 O14 F6\n1.0\n3.253249 3.348547 0.000000\n-3.253249 3.348547 0.000000\n0.000000 0.033659 15.226948\nFe O F\n10 14 6\ndirect\n0.038152 0.019759 0.706994 Fe\n0.973448 0.970694 0.901410 Fe\n0.029306 0.026552 0.098590 Fe\n0.980241 0.961848 0.293006 Fe\n0.016469 0.983531 0.500000 Fe\n0.505110 0.496101 0.799728 Fe\n0.503899 0.494890 0.200272 Fe\n0.501394 0.498606 0.000000 Fe\n0.487852 0.525073 0.404828 Fe\n0.474927 0.512148 0.595172 Fe\n0.194474 0.795150 0.804887 O\n0.193979 0.806021 0.000000 O\n0.204850 0.805526 0.195113 O\n0.175962 0.804754 0.395700 O\n0.195246 0.824038 0.604300 O\n0.680161 0.674092 0.900722 O\n0.677868 0.679137 0.298560 O\n0.693656 0.704141 0.501714 O\n0.320863 0.322132 0.701440 O\n0.325908 0.319839 0.099278 O\n0.295859 0.306344 0.498286 O\n0.806315 0.187977 0.802661 O\n0.812023 0.193685 0.197339 O\n0.808723 0.191277 0.000000 O\n0.705697 0.706606 0.699256 F\n0.708029 0.701586 0.099222 F\n0.298414 0.291971 0.900778 F\n0.293394 0.294303 0.300744 F\n0.805635 0.207854 0.602624 F\n0.792146 0.194365 0.397376 F\n",
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{
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"created_at": "2022-09-04T14:39:42.150987Z",
"structure_string": "Mn3 Fe3 P6 O24\n1.0\n7.431917 -4.314418 0.000000\n7.431917 4.314418 0.000000\n4.927286 0.000000 7.040557\nMn Fe P O\n3 3 6 24\ndirect\n0.997895 0.997895 0.997895 Mn\n0.143585 0.143585 0.143585 Mn\n0.499968 0.499968 0.499968 Mn\n0.646051 0.646051 0.646051 Fe\n0.854941 0.854941 0.854941 Fe\n0.355009 0.355009 0.355009 Fe\n0.957285 0.251109 0.539108 P\n0.539108 0.957285 0.251109 P\n0.251109 0.539108 0.957285 P\n0.752700 0.455702 0.046621 P\n0.455702 0.046621 0.752700 P\n0.046621 0.752700 0.455702 P\n0.500500 0.110985 0.318434 O\n0.318434 0.500500 0.110985 O\n0.110985 0.318434 0.500500 O\n0.943066 0.088476 0.734101 O\n0.995511 0.189436 0.379006 O\n0.760260 0.412350 0.554006 O\n0.734101 0.943066 0.088476 O\n0.554006 0.760260 0.412350 O\n0.814701 0.612355 0.007866 O\n0.412350 0.554006 0.760260 O\n0.918526 0.257933 0.060133 O\n0.612355 0.007866 0.814701 O\n0.379006 0.995511 0.189436 O\n0.088476 0.734101 0.943066 O\n0.592398 0.435606 0.243416 O\n0.189436 0.379006 0.995511 O\n0.435606 0.243416 0.592398 O\n0.257933 0.060133 0.918526 O\n0.243416 0.592398 0.435606 O\n0.007866 0.814701 0.612355 O\n0.060134 0.918526 0.257933 O\n0.888334 0.693583 0.489056 O\n0.693583 0.489056 0.888334 O\n0.489056 0.888334 0.693583 O\n",
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{
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{
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{
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}