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{
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{
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"structure_string": "Rb4 Lu4 S8 O36\n1.0\n0.000000 8.491718 0.000000\n9.118953 0.000000 -5.314075\n-8.766953 0.000000 -4.968408\nRb Lu S O\n4 4 8 36\ndirect\n0.333780 0.681838 0.962553 Rb\n0.666220 0.318162 0.037447 Rb\n0.833780 0.818162 0.537447 Rb\n0.166220 0.181838 0.462553 Rb\n0.371156 0.969529 0.717951 Lu\n0.628844 0.030471 0.282049 Lu\n0.871156 0.530471 0.782049 Lu\n0.128844 0.469529 0.217951 Lu\n0.131461 0.316044 0.877091 S\n0.868539 0.683956 0.122909 S\n0.631461 0.183956 0.622909 S\n0.368539 0.816044 0.377091 S\n0.195830 0.609978 0.597929 S\n0.804170 0.390022 0.402071 S\n0.695830 0.890022 0.902071 S\n0.304170 0.109978 0.097929 S\n0.793853 0.023747 0.969892 O\n0.206147 0.976253 0.030108 O\n0.293853 0.476253 0.530108 O\n0.706147 0.523747 0.469892 O\n0.206913 0.176839 0.764248 O\n0.793087 0.823161 0.235752 O\n0.706913 0.323161 0.735752 O\n0.293087 0.676839 0.264248 O\n0.298682 0.743953 0.680582 O\n0.701318 0.256047 0.319418 O\n0.798682 0.756047 0.819418 O\n0.201318 0.243953 0.180582 O\n0.394075 0.119391 0.976163 O\n0.605925 0.880609 0.023837 O\n0.894075 0.380609 0.523837 O\n0.105925 0.619391 0.476163 O\n0.123564 0.937675 0.780000 O\n0.876436 0.062325 0.220000 O\n0.623564 0.562325 0.720000 O\n0.376436 0.437675 0.280000 O\n0.250632 0.421561 0.989796 O\n0.749368 0.578439 0.010204 O\n0.750632 0.078439 0.510204 O\n0.249368 0.921561 0.489796 O\n0.011529 0.299541 0.975124 O\n0.988471 0.700459 0.024876 O\n0.511529 0.200459 0.524876 O\n0.488471 0.799541 0.475124 O\n0.058608 0.381256 0.789979 O\n0.941392 0.618744 0.210021 O\n0.558608 0.118744 0.710021 O\n0.441392 0.881256 0.289979 O\n0.588438 0.887967 0.784999 O\n0.411562 0.112033 0.215001 O\n0.088438 0.612033 0.715001 O\n0.911562 0.387967 0.284999 O\n",
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{
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"structure_string": "Ba4 Na4 Cr8 F36\n1.0\n17.675302 0.000000 0.000000\n0.000000 5.540928 0.000000\n0.000000 5.343516 7.445402\nBa Na Cr F\n4 4 8 36\ndirect\n0.715023 0.344184 0.931525 Ba\n0.215023 0.655816 0.568475 Ba\n0.284977 0.655816 0.068475 Ba\n0.784977 0.344184 0.431525 Ba\n0.959775 0.564135 0.688755 Na\n0.459775 0.435865 0.811245 Na\n0.540225 0.564135 0.188755 Na\n0.040225 0.435865 0.311245 Na\n0.580087 0.008336 0.725614 Cr\n0.121596 0.190023 0.089915 Cr\n0.878404 0.809977 0.910085 Cr\n0.378404 0.190023 0.589915 Cr\n0.919913 0.008336 0.225614 Cr\n0.419913 0.991664 0.274386 Cr\n0.621596 0.809977 0.410085 Cr\n0.080087 0.991664 0.774386 Cr\n0.932342 0.822374 0.095048 F\n0.432342 0.177626 0.404952 F\n0.067658 0.177626 0.904952 F\n0.567658 0.822374 0.595048 F\n0.791957 0.619673 0.062045 F\n0.291957 0.380327 0.437955 F\n0.208043 0.380327 0.937955 F\n0.708043 0.619673 0.562045 F\n0.531738 0.998410 0.254279 F\n0.031738 0.001590 0.245721 F\n0.468262 0.001590 0.745721 F\n0.968262 0.998410 0.754279 F\n0.663506 0.196704 0.301737 F\n0.163506 0.803296 0.198263 F\n0.336494 0.803296 0.698263 F\n0.836494 0.196704 0.801737 F\n0.581931 0.170110 0.860969 F\n0.081931 0.829890 0.639031 F\n0.418069 0.829890 0.139031 F\n0.918069 0.170110 0.360969 F\n0.075735 0.584603 0.001968 F\n0.575735 0.415397 0.498032 F\n0.924265 0.415397 0.998032 F\n0.424265 0.584603 0.501968 F\n0.687444 0.991147 0.714032 F\n0.187444 0.008853 0.785968 F\n0.312556 0.008853 0.285968 F\n0.812556 0.991147 0.214032 F\n0.082521 0.388352 0.559850 F\n0.582521 0.611648 0.940150 F\n0.917479 0.611648 0.440150 F\n0.417479 0.388352 0.059850 F\n0.835426 0.788417 0.725845 F\n0.335426 0.211583 0.774155 F\n0.164574 0.211583 0.274155 F\n0.664574 0.788417 0.225845 F\n",
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{
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{
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"energy_uncorrected": -355.58180461,
"band_gap": 1.7776,
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"is_magnetic": true,
"total_magnetization": 7.9985134,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:04.703000Z",
"spacegroup": 14
}
]
}