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{
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{
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"structure_string": "B4 P8 Pb8 O36\n1.0\n17.477308 0.000000 0.000000\n0.000000 5.597282 0.000000\n0.000000 5.540329 8.437283\nB P Pb O\n4 8 8 36\ndirect\n0.689216 0.097208 0.761407 B\n0.810784 0.097208 0.261407 B\n0.310784 0.902792 0.238593 B\n0.189216 0.902792 0.738593 B\n0.577771 0.138513 0.565840 P\n0.922229 0.138513 0.065840 P\n0.422229 0.861487 0.434160 P\n0.077771 0.861487 0.934160 P\n0.638339 0.679205 0.052030 P\n0.861661 0.679205 0.552030 P\n0.361661 0.320795 0.947970 P\n0.138339 0.320795 0.447970 P\n0.625104 0.885952 0.312118 Pb\n0.874896 0.885952 0.812118 Pb\n0.374896 0.114048 0.687882 Pb\n0.125104 0.114048 0.187882 Pb\n0.464710 0.522326 0.189548 Pb\n0.035290 0.522326 0.689548 Pb\n0.535290 0.477674 0.810452 Pb\n0.964710 0.477674 0.310452 Pb\n0.555196 0.404962 0.405615 O\n0.944804 0.404962 0.905615 O\n0.444804 0.595038 0.594385 O\n0.055196 0.595038 0.094385 O\n0.708066 0.639477 0.155236 O\n0.791934 0.639477 0.655236 O\n0.291934 0.360523 0.844764 O\n0.208066 0.360523 0.344764 O\n0.649041 0.258481 0.618782 O\n0.850959 0.258481 0.118782 O\n0.350959 0.741519 0.381218 O\n0.149041 0.741519 0.881218 O\n0.581957 0.889498 0.054245 O\n0.918043 0.889498 0.554245 O\n0.418043 0.110502 0.945755 O\n0.081957 0.110502 0.445755 O\n0.594858 0.405303 0.093016 O\n0.905142 0.405303 0.593016 O\n0.405142 0.594697 0.906984 O\n0.094858 0.594697 0.406984 O\n0.516536 0.026046 0.697940 O\n0.983464 0.026046 0.197940 O\n0.483464 0.973954 0.302060 O\n0.016536 0.973954 0.802060 O\n0.749878 0.186188 0.803926 O\n0.750122 0.186188 0.303926 O\n0.250122 0.813812 0.196074 O\n0.249878 0.813812 0.696074 O\n0.663943 0.813679 0.869805 O\n0.836057 0.813679 0.369805 O\n0.336057 0.186321 0.130195 O\n0.163943 0.186321 0.630195 O\n0.605470 0.886561 0.557202 O\n0.894530 0.886561 0.057202 O\n0.394530 0.113439 0.442798 O\n0.105470 0.113439 0.942798 O\n",
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{
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"created_at": "2022-09-04T14:48:25.082559Z",
"structure_string": "H20 C8 Cl4 O4\n1.0\n8.371819 0.000000 0.000000\n0.000000 6.460909 0.000000\n0.000000 3.532305 8.014632\nH C Cl O\n20 8 4 4\ndirect\n0.842612 0.595045 0.933148 H\n0.477315 0.949863 0.652370 H\n0.295038 0.513982 0.179398 H\n0.657388 0.595045 0.433148 H\n0.204962 0.513982 0.679398 H\n0.977315 0.050137 0.847630 H\n0.704962 0.486018 0.820602 H\n0.342612 0.404955 0.566852 H\n0.774271 0.145868 0.802832 H\n0.725729 0.145868 0.302832 H\n0.274271 0.854132 0.697168 H\n0.795038 0.486018 0.320602 H\n0.157388 0.404955 0.066852 H\n0.931987 0.291894 0.659978 H\n0.022685 0.949863 0.152370 H\n0.068013 0.708106 0.340022 H\n0.522685 0.050137 0.347630 H\n0.568013 0.291894 0.159978 H\n0.225729 0.854132 0.197168 H\n0.431987 0.708106 0.840022 H\n0.900276 0.198718 0.792194 C\n0.329733 0.478391 0.658991 C\n0.170267 0.478391 0.158991 C\n0.829733 0.521609 0.841009 C\n0.599724 0.198718 0.292194 C\n0.099724 0.801282 0.207806 C\n0.670267 0.521609 0.341009 C\n0.400276 0.801282 0.707806 C\n0.612267 0.754108 0.139094 Cl\n0.887733 0.754108 0.639094 Cl\n0.112267 0.245892 0.360906 Cl\n0.387733 0.245892 0.860906 Cl\n0.428139 0.663343 0.615621 O\n0.571861 0.336657 0.384379 O\n0.928139 0.336657 0.884379 O\n0.071861 0.663343 0.115621 O\n",
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"formula_full": "H20 C8 Cl4 O4",
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{
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"created_at": "2022-09-04T14:48:25.114232Z",
"structure_string": "Cs2 Na1 Mn1 F6\n1.0\n0.000000 4.447616 4.447616\n4.447616 0.000000 4.447616\n4.447616 4.447616 0.000000\nCs Na Mn F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Cs\n0.750000 0.750000 0.750000 Cs\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Mn\n0.775425 0.775425 0.224575 F\n0.775425 0.224575 0.775425 F\n0.224575 0.775425 0.224575 F\n0.775425 0.224575 0.224575 F\n0.224575 0.224575 0.775425 F\n0.224575 0.775425 0.775425 F\n",
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{
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"created_at": "2022-09-04T14:48:25.180855Z",
"structure_string": "Sr4 In32 Rh8\n1.0\n4.447276 0.000000 0.000000\n0.000000 14.129411 0.000000\n0.000000 0.000000 16.430014\nSr In Rh\n4 32 8\ndirect\n0.500000 0.842429 0.319328 Sr\n0.500000 0.157571 0.680672 Sr\n0.500000 0.342429 0.180672 Sr\n0.500000 0.657571 0.819328 Sr\n0.000000 0.833998 0.877956 In\n0.000000 0.166002 0.122044 In\n0.000000 0.333998 0.622044 In\n0.000000 0.666002 0.377956 In\n0.000000 0.550340 0.682828 In\n0.000000 0.449660 0.317172 In\n0.000000 0.050340 0.817172 In\n0.000000 0.949660 0.182828 In\n0.000000 0.000000 0.000000 In\n0.000000 0.500000 0.500000 In\n0.000000 0.760115 0.676784 In\n0.000000 0.239885 0.323216 In\n0.000000 0.260115 0.823216 In\n0.000000 0.739885 0.176784 In\n0.500000 0.840106 0.044434 In\n0.500000 0.159894 0.955566 In\n0.500000 0.340106 0.455566 In\n0.500000 0.659894 0.544434 In\n0.000000 0.669984 0.989041 In\n0.000000 0.330016 0.010959 In\n0.000000 0.169984 0.510959 In\n0.000000 0.830016 0.489041 In\n0.500000 0.600060 0.253582 In\n0.500000 0.399940 0.746418 In\n0.500000 0.100060 0.246418 In\n0.500000 0.899940 0.753582 In\n0.500000 0.500000 0.000000 In\n0.500000 0.000000 0.500000 In\n0.000000 0.979431 0.633437 In\n0.000000 0.020569 0.366563 In\n0.000000 0.479431 0.866563 In\n0.000000 0.520569 0.133437 In\n0.500000 0.653920 0.096511 Rh\n0.500000 0.346080 0.903489 Rh\n0.500000 0.153920 0.403489 Rh\n0.500000 0.846080 0.596511 Rh\n0.500000 0.534507 0.404940 Rh\n0.500000 0.465493 0.595060 Rh\n0.500000 0.034507 0.095060 Rh\n0.500000 0.965493 0.904940 Rh\n",
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{
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{
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"structure_string": "La10 Co2 Pb6\n1.0\n4.838182 -8.379977 0.000000\n4.838182 8.379977 0.000000\n0.000000 0.000000 7.188358\nLa Co Pb\n10 2 6\ndirect\n0.769255 0.769255 0.250000 La\n0.230745 0.000000 0.250000 La\n0.000000 0.230745 0.250000 La\n0.230745 0.230745 0.750000 La\n0.769255 0.000000 0.750000 La\n0.000000 0.769255 0.750000 La\n0.666667 0.333333 0.500000 La\n0.333333 0.666667 0.500000 La\n0.333333 0.666667 0.000000 La\n0.666667 0.333333 0.000000 La\n0.000000 0.000000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.404444 0.404444 0.250000 Pb\n0.595556 0.000000 0.250000 Pb\n0.000000 0.595556 0.250000 Pb\n0.595556 0.595556 0.750000 Pb\n0.404444 0.000000 0.750000 Pb\n0.000000 0.404444 0.750000 Pb\n",
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{
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"structure_string": "Mn7 Pb1 O12\n1.0\n-3.784650 3.784650 3.784650\n3.784650 -3.784650 3.784650\n3.784650 3.784650 -3.784650\nMn Pb O\n7 1 12\ndirect\n0.500000 0.000000 0.500000 Mn\n0.000000 0.500000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.500000 0.000000 0.000000 Mn\n0.000000 0.500000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Pb\n0.181582 0.868780 0.687197 O\n0.818418 0.131220 0.312803 O\n0.818418 0.505615 0.687197 O\n0.181582 0.494385 0.312803 O\n0.868780 0.687197 0.181582 O\n0.131220 0.312803 0.818418 O\n0.505615 0.687197 0.818418 O\n0.494385 0.312803 0.181582 O\n0.687197 0.181582 0.868780 O\n0.312803 0.818418 0.131220 O\n0.687197 0.818418 0.505615 O\n0.312803 0.181582 0.494385 O\n",
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{
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{
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}