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{
"id": "mp-1315015",
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{
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"structure_string": "H32 S4 N8 O16\n1.0\n6.100969 0.000000 0.000000\n0.000000 7.792491 0.000000\n0.000000 0.000000 10.721541\nH S N O\n32 4 8 16\ndirect\n0.387092 0.890075 0.318266 H\n0.887092 0.109925 0.681734 H\n0.112908 0.390075 0.181734 H\n0.612908 0.609925 0.818266 H\n0.612908 0.109925 0.681734 H\n0.112908 0.890075 0.318266 H\n0.887092 0.609925 0.818266 H\n0.387092 0.390075 0.181734 H\n0.750000 0.006661 0.794954 H\n0.250000 0.993339 0.205046 H\n0.750000 0.506661 0.705046 H\n0.250000 0.493339 0.294954 H\n0.750000 0.924236 0.648265 H\n0.250000 0.075764 0.351735 H\n0.750000 0.187266 0.368960 H\n0.750000 0.424236 0.851735 H\n0.388387 0.675187 0.539295 H\n0.888387 0.324813 0.460705 H\n0.111613 0.175187 0.960705 H\n0.611613 0.824813 0.039295 H\n0.611613 0.324813 0.460705 H\n0.111613 0.675187 0.539295 H\n0.888387 0.824813 0.039295 H\n0.388387 0.175187 0.960705 H\n0.750000 0.401568 0.336629 H\n0.250000 0.598432 0.663371 H\n0.750000 0.901568 0.163371 H\n0.250000 0.098432 0.836629 H\n0.250000 0.312734 0.868960 H\n0.750000 0.687266 0.131040 H\n0.250000 0.812734 0.631040 H\n0.250000 0.575764 0.148265 H\n0.750000 0.757476 0.419473 S\n0.250000 0.242524 0.580527 S\n0.750000 0.257476 0.080527 S\n0.250000 0.742524 0.919473 S\n0.750000 0.037002 0.701887 N\n0.250000 0.962998 0.298113 N\n0.750000 0.537002 0.798113 N\n0.250000 0.462998 0.201887 N\n0.750000 0.309762 0.405654 N\n0.250000 0.690238 0.594346 N\n0.750000 0.809762 0.094346 N\n0.250000 0.190238 0.905654 N\n0.451553 0.324223 0.633028 O\n0.951553 0.675777 0.366972 O\n0.048447 0.824223 0.866972 O\n0.548447 0.175777 0.133028 O\n0.548447 0.675777 0.366972 O\n0.048447 0.324223 0.633028 O\n0.951553 0.175777 0.133028 O\n0.451553 0.824223 0.866972 O\n0.750000 0.732573 0.558523 O\n0.250000 0.267427 0.441477 O\n0.750000 0.232573 0.941477 O\n0.250000 0.767427 0.058523 O\n0.750000 0.943165 0.387481 O\n0.250000 0.056835 0.612519 O\n0.750000 0.443165 0.112519 O\n0.250000 0.556835 0.887481 O\n",
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},
{
"id": "mp-769507",
"created_at": "2022-09-04T14:42:08.507667Z",
"structure_string": "Li10 Co1 Ni9 O20\n1.0\n-16.472259 -9.510263 -9.973590\n1.396029 -2.417994 0.000000\n-2.851630 -1.646390 4.670641\nLi Co Ni O\n10 1 9 20\ndirect\n0.901140 0.500000 0.303712 Li\n0.798206 0.000000 0.099831 Li\n0.700319 0.500000 0.898932 Li\n0.600098 0.000000 0.699815 Li\n0.500000 0.500000 0.500000 Li\n0.399902 0.000000 0.300185 Li\n0.201794 0.000000 0.900169 Li\n0.299681 0.500000 0.101068 Li\n0.098860 0.500000 0.696288 Li\n0.000000 0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Co\n0.903141 0.500000 0.797921 Ni\n0.801241 0.000000 0.600375 Ni\n0.700333 0.500000 0.400145 Ni\n0.600076 0.000000 0.199875 Ni\n0.399924 0.000000 0.800125 Ni\n0.500000 0.500000 0.000000 Ni\n0.299667 0.500000 0.599855 Ni\n0.198759 0.000000 0.399625 Ni\n0.096859 0.500000 0.202079 Ni\n0.000691 0.500000 0.771947 O\n0.899697 0.000000 0.572814 O\n0.801450 0.500000 0.829391 O\n0.909206 0.000000 0.023349 O\n0.700370 0.000000 0.625800 O\n0.800801 0.500000 0.371882 O\n0.600102 0.500000 0.974680 O\n0.700117 0.000000 0.174561 O\n0.600002 0.500000 0.425062 O\n0.500057 0.000000 0.774730 O\n0.499943 0.000000 0.225270 O\n0.299883 0.000000 0.825439 O\n0.399998 0.500000 0.574938 O\n0.399898 0.500000 0.025320 O\n0.299630 0.000000 0.374200 O\n0.199199 0.500000 0.628118 O\n0.090794 0.000000 0.976651 O\n0.198550 0.500000 0.170609 O\n0.100303 0.000000 0.427186 O\n0.999309 0.500000 0.228053 O\n",
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"formula_full": "Li10 Co1 Ni9 O20",
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},
{
"id": "mp-626337",
"created_at": "2022-09-04T14:46:03.703517Z",
"structure_string": "Sr2 H32 O20\n1.0\n6.139812 0.000000 0.000000\n0.073641 6.506817 0.000000\n0.377863 0.192562 11.479382\nSr H O\n2 32 20\ndirect\n0.968016 0.993797 0.498604 Sr\n0.005262 0.017854 0.997484 Sr\n0.055798 0.692060 0.710772 H\n0.244123 0.630690 0.611206 H\n0.913861 0.378452 0.657721 H\n0.676339 0.376598 0.605165 H\n0.697083 0.813335 0.710424 H\n0.576585 0.719417 0.604888 H\n0.386211 0.066917 0.638711 H\n0.348929 0.301685 0.596787 H\n0.965151 0.683368 0.207931 H\n0.750188 0.643059 0.127209 H\n0.083078 0.388172 0.170388 H\n0.299400 0.397067 0.091471 H\n0.400529 0.744554 0.111388 H\n0.286510 0.867037 0.215871 H\n0.565814 0.073920 0.143582 H\n0.632255 0.305482 0.112031 H\n0.789369 0.250739 0.285046 H\n0.696767 0.382681 0.392155 H\n0.261479 0.588341 0.381735 H\n0.018738 0.519461 0.364417 H\n0.353647 0.225488 0.370009 H\n0.447789 0.999041 0.371773 H\n0.718273 0.831490 0.289458 H\n0.600906 0.707674 0.397884 H\n0.184613 0.246715 0.766452 H\n0.070352 0.421443 0.846004 H\n0.753850 0.583321 0.926751 H\n0.093958 0.711914 0.868420 H\n0.712245 0.171971 0.779328 H\n0.609442 0.269340 0.891815 H\n0.438227 0.728358 0.902558 H\n0.453957 0.963303 0.866621 H\n0.478526 0.504067 0.561241 O\n0.553073 0.524968 0.072102 O\n0.492092 0.507746 0.431249 O\n0.596738 0.525307 0.944278 O\n0.098638 0.697649 0.625572 O\n0.799519 0.283757 0.637480 O\n0.636775 0.852944 0.635491 O\n0.271178 0.171872 0.627971 O\n0.858798 0.747358 0.155839 O\n0.161330 0.319627 0.107329 O\n0.333162 0.879854 0.133982 O\n0.693308 0.166445 0.138988 O\n0.833993 0.304625 0.360795 O\n0.116333 0.639526 0.350888 O\n0.307991 0.081401 0.367722 O\n0.666137 0.849794 0.371366 O\n0.140349 0.282241 0.847853 O\n0.943705 0.675557 0.851920 O\n0.661332 0.134991 0.860154 O\n0.346596 0.851014 0.883473 O\n",
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{
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"structure_string": "Sr2 H32 O20\n1.0\n4.430861 4.460435 0.000000\n-4.430861 4.460435 0.000000\n0.000000 0.356060 11.601781\nSr H O\n2 32 20\ndirect\n0.000000 0.000000 0.000000 Sr\n0.000000 0.000000 0.500000 Sr\n0.693287 0.911273 0.792690 H\n0.613795 0.731523 0.889229 H\n0.382470 0.277624 0.891815 H\n0.443431 0.037820 0.883757 H\n0.723657 0.381053 0.889484 H\n0.963030 0.443057 0.887311 H\n0.088681 0.680884 0.792789 H\n0.270105 0.611073 0.889756 H\n0.680884 0.088681 0.292789 H\n0.611073 0.270105 0.389756 H\n0.443057 0.963030 0.387311 H\n0.381053 0.723657 0.389484 H\n0.731523 0.613795 0.389229 H\n0.911273 0.693287 0.292690 H\n0.037820 0.443431 0.383757 H\n0.277624 0.382470 0.391815 H\n0.306713 0.088727 0.207310 H\n0.386205 0.268477 0.110771 H\n0.617530 0.722376 0.108185 H\n0.556569 0.962180 0.116243 H\n0.276343 0.618947 0.110516 H\n0.036970 0.556943 0.112689 H\n0.729895 0.388927 0.110244 H\n0.911319 0.319116 0.207211 H\n0.319116 0.911319 0.707211 H\n0.388927 0.729895 0.610244 H\n0.556943 0.036970 0.612689 H\n0.618947 0.276343 0.610516 H\n0.088727 0.306713 0.707310 H\n0.268477 0.386205 0.610771 H\n0.722376 0.617530 0.608185 H\n0.962180 0.556569 0.616243 H\n0.496295 0.504724 0.934936 O\n0.504724 0.496295 0.434936 O\n0.503705 0.495276 0.065064 O\n0.495276 0.503705 0.565064 O\n0.669119 0.882450 0.875643 O\n0.320524 0.135910 0.870797 O\n0.869932 0.320609 0.872862 O\n0.122681 0.676078 0.874962 O\n0.676078 0.122681 0.374962 O\n0.320609 0.869932 0.372862 O\n0.882450 0.669119 0.375643 O\n0.135910 0.320524 0.370797 O\n0.330881 0.117550 0.124357 O\n0.679476 0.864090 0.129203 O\n0.130068 0.679391 0.127138 O\n0.877319 0.323922 0.125038 O\n0.323922 0.877319 0.625038 O\n0.679391 0.130068 0.627138 O\n0.117550 0.330881 0.624357 O\n0.864090 0.679476 0.629203 O\n",
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{
"id": "mp-1202237",
"created_at": "2022-09-04T14:40:03.991183Z",
"structure_string": "Mg4 B8 H52 N12\n1.0\n9.035117 0.000000 0.000000\n0.000000 8.093640 0.000000\n0.000000 0.835188 8.825887\nMg B H N\n4 8 52 12\ndirect\n0.075706 0.717952 0.728184 Mg\n0.575706 0.282048 0.771816 Mg\n0.924294 0.282048 0.271816 Mg\n0.424294 0.717952 0.228184 Mg\n0.225422 0.801102 0.033499 B\n0.725422 0.198898 0.466501 B\n0.774578 0.198898 0.966501 B\n0.274578 0.801102 0.533499 B\n0.741768 0.650944 0.754928 B\n0.241768 0.349056 0.745072 B\n0.258232 0.349056 0.245072 B\n0.758232 0.650944 0.254928 B\n0.218676 0.791761 0.175395 H\n0.718676 0.208239 0.324605 H\n0.781324 0.208239 0.824605 H\n0.281324 0.791761 0.675395 H\n0.204465 0.947933 0.990997 H\n0.704465 0.052067 0.509003 H\n0.795535 0.052067 0.009003 H\n0.295535 0.947933 0.490997 H\n0.351773 0.763586 0.993701 H\n0.851773 0.236414 0.506299 H\n0.648227 0.236414 0.006299 H\n0.148227 0.763586 0.493701 H\n0.007111 0.705972 0.014318 H\n0.507111 0.294028 0.485682 H\n0.992889 0.294028 0.985682 H\n0.492889 0.705972 0.514318 H\n0.132604 0.564293 0.000441 H\n0.632604 0.435707 0.499559 H\n0.867396 0.435707 0.999559 H\n0.367396 0.564293 0.500441 H\n0.775675 0.681022 0.884459 H\n0.275675 0.318978 0.615541 H\n0.224325 0.318978 0.115541 H\n0.724325 0.681022 0.384459 H\n0.682101 0.774343 0.689741 H\n0.182101 0.225657 0.810259 H\n0.317899 0.225657 0.310259 H\n0.817899 0.774343 0.189741 H\n0.647554 0.537961 0.766044 H\n0.147554 0.462039 0.733956 H\n0.352446 0.462039 0.233956 H\n0.852446 0.537961 0.266044 H\n0.903550 0.477156 0.683920 H\n0.403550 0.522844 0.816080 H\n0.096450 0.522844 0.316080 H\n0.596450 0.477156 0.183920 H\n0.858461 0.618435 0.549630 H\n0.358461 0.381565 0.950370 H\n0.141539 0.381565 0.450370 H\n0.641539 0.618435 0.049630 H\n0.062074 0.060581 0.703685 H\n0.562074 0.939419 0.796315 H\n0.937926 0.939419 0.296315 H\n0.437926 0.060581 0.203685 H\n0.908669 0.987188 0.635310 H\n0.408669 0.012812 0.864690 H\n0.091331 0.012812 0.364690 H\n0.591331 0.987188 0.135310 H\n0.932563 0.982740 0.816600 H\n0.432563 0.017260 0.683400 H\n0.067437 0.017260 0.183400 H\n0.567437 0.982740 0.316600 H\n0.108724 0.685984 0.967054 N\n0.608724 0.314016 0.532946 N\n0.891276 0.314016 0.032946 N\n0.391276 0.685984 0.467054 N\n0.881393 0.601386 0.663301 N\n0.381393 0.398614 0.836699 N\n0.118607 0.398614 0.336699 N\n0.618607 0.601386 0.163301 N\n0.987336 0.964764 0.718331 N\n0.487336 0.035236 0.781669 N\n0.012664 0.035236 0.281669 N\n0.512664 0.964764 0.218331 N\n",
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