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{
"id": "mp-1048301",
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"structure_string": "Ca4 Ti8 Be12 Si12 O48\n1.0\n7.595246 0.000000 0.000000\n0.000000 8.212164 0.000000\n0.000000 8.194173 14.192883\nCa Ti Be Si O\n4 8 12 12 48\ndirect\n0.496140 0.499014 0.751055 Ca\n0.996140 0.500986 0.748945 Ca\n0.503860 0.500986 0.248945 Ca\n0.003860 0.499014 0.251055 Ca\n0.440399 0.163513 0.588109 Ti\n0.059601 0.163513 0.088109 Ti\n0.559601 0.836487 0.411891 Ti\n0.940399 0.836487 0.911891 Ti\n0.567521 0.827878 0.922265 Ti\n0.067521 0.172122 0.577735 Ti\n0.432479 0.172122 0.077735 Ti\n0.932479 0.827878 0.422265 Ti\n0.845296 0.816405 0.262586 Be\n0.659746 0.159633 0.908296 Be\n0.159746 0.840367 0.591704 Be\n0.340254 0.840367 0.091704 Be\n0.840254 0.159633 0.408296 Be\n0.156996 0.474803 0.920194 Be\n0.656996 0.525197 0.579806 Be\n0.843004 0.525197 0.079806 Be\n0.343004 0.474803 0.420194 Be\n0.654704 0.816405 0.762586 Be\n0.154704 0.183595 0.737414 Be\n0.345296 0.183595 0.237414 Be\n0.232070 0.810101 0.268501 Si\n0.732070 0.189899 0.231499 Si\n0.767930 0.189899 0.731499 Si\n0.267930 0.810101 0.768501 Si\n0.731323 0.463475 0.424059 Si\n0.231323 0.536525 0.075941 Si\n0.268677 0.536525 0.575941 Si\n0.768677 0.463475 0.924059 Si\n0.233635 0.150351 0.405957 Si\n0.733635 0.849649 0.094043 Si\n0.766365 0.849649 0.594043 Si\n0.266365 0.150351 0.905957 Si\n0.124711 0.707483 0.544260 O\n0.036839 0.761918 0.317263 O\n0.536839 0.238082 0.182737 O\n0.963161 0.238082 0.682737 O\n0.463161 0.761918 0.817263 O\n0.535262 0.368437 0.448391 O\n0.035262 0.631563 0.051609 O\n0.464738 0.631563 0.551609 O\n0.964738 0.368437 0.948391 O\n0.034892 0.102020 0.384273 O\n0.534892 0.897980 0.115727 O\n0.965108 0.897980 0.615727 O\n0.124731 0.087336 0.851390 O\n0.624731 0.912664 0.648610 O\n0.875269 0.912664 0.148610 O\n0.375269 0.087336 0.351390 O\n0.624711 0.292517 0.955740 O\n0.465108 0.102020 0.884273 O\n0.375289 0.707483 0.044260 O\n0.875289 0.292517 0.455740 O\n0.761050 0.957398 0.978170 O\n0.622900 0.297195 0.646194 O\n0.877100 0.297195 0.146194 O\n0.377100 0.702805 0.353806 O\n0.744183 0.271389 0.305005 O\n0.244183 0.728611 0.194995 O\n0.255817 0.728611 0.694995 O\n0.755817 0.271389 0.805005 O\n0.744985 0.611935 0.309672 O\n0.244985 0.388065 0.190328 O\n0.255015 0.388065 0.690328 O\n0.755015 0.611935 0.809672 O\n0.245785 0.379042 0.364985 O\n0.745785 0.620958 0.135015 O\n0.754215 0.620958 0.635015 O\n0.254215 0.379042 0.864985 O\n0.757400 0.959072 0.294532 O\n0.257400 0.040928 0.205468 O\n0.242600 0.040928 0.705468 O\n0.742600 0.959072 0.794532 O\n0.756028 0.585688 0.478788 O\n0.256028 0.414312 0.021212 O\n0.243972 0.414312 0.521212 O\n0.743972 0.585688 0.978788 O\n0.738950 0.957398 0.478170 O\n0.238950 0.042602 0.021830 O\n0.261050 0.042602 0.521830 O\n0.122900 0.702805 0.853806 O\n",
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},
{
"id": "mp-1201953",
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"structure_string": "Ba6 Al4 B20 H8 O46\n1.0\n0.000000 6.152453 23.165457\n3.651858 0.000000 23.165457\n3.651858 6.152453 0.000000\nBa Al B H O\n6 4 20 8 46\ndirect\n0.787638 0.524238 0.219372 Ba\n0.219372 0.468751 0.787638 Ba\n0.781249 0.030628 0.725762 Ba\n0.725762 0.462362 0.781249 Ba\n0.741218 0.758782 0.741218 Ba\n0.491218 0.508782 0.491218 Ba\n0.450231 0.886591 0.908998 Al\n0.908998 0.754180 0.450231 Al\n0.495820 0.341002 0.363409 Al\n0.363409 0.799769 0.495820 Al\n0.272024 0.052434 0.625964 B\n0.625964 0.049577 0.272024 B\n0.200423 0.624036 0.197566 B\n0.197566 0.977976 0.200423 B\n0.899426 0.437222 0.693906 B\n0.693906 0.969446 0.899426 B\n0.280554 0.556094 0.812778 B\n0.812778 0.350574 0.280554 B\n0.261596 0.181006 0.990644 B\n0.990644 0.566754 0.261596 B\n0.683246 0.259356 0.068994 B\n0.068994 0.988404 0.683246 B\n0.159537 0.376696 0.888645 B\n0.888645 0.575123 0.159537 B\n0.674877 0.361355 0.873304 B\n0.873304 0.090463 0.674877 B\n0.171551 0.133708 0.352687 B\n0.352687 0.342054 0.171551 B\n0.907946 0.897313 0.116292 B\n0.116292 0.078449 0.907946 B\n0.977909 0.426942 0.457475 H\n0.457475 0.137674 0.977909 H\n0.112326 0.792525 0.823058 H\n0.823058 0.272091 0.112326 H\n0.184740 0.380381 0.592029 H\n0.592029 0.842850 0.184740 H\n0.407150 0.657971 0.869619 H\n0.869619 0.065260 0.407150 H\n0.900346 0.496619 0.614630 O\n0.614630 0.988405 0.900346 O\n0.261595 0.635370 0.753381 O\n0.753381 0.349654 0.261595 O\n0.957299 0.542701 0.957299 O\n0.707299 0.292701 0.707299 O\n0.429873 0.893866 0.679219 O\n0.679219 0.997042 0.429873 O\n0.252958 0.570781 0.356134 O\n0.356134 0.820127 0.252958 O\n0.050769 0.372622 0.141901 O\n0.141901 0.434708 0.050769 O\n0.815292 0.108099 0.877378 O\n0.877378 0.199231 0.815292 O\n0.322060 0.175167 0.874465 O\n0.874465 0.628308 0.322060 O\n0.621692 0.375535 0.074833 O\n0.074833 0.927940 0.621692 O\n0.424837 0.985169 0.955751 O\n0.955751 0.634243 0.424837 O\n0.615757 0.294249 0.264831 O\n0.264831 0.825163 0.615757 O\n0.064758 0.267583 0.765510 O\n0.765510 0.902149 0.064757 O\n0.347851 0.484490 0.982417 O\n0.982417 0.185243 0.347851 O\n0.234720 0.340942 0.690808 O\n0.690808 0.733530 0.234720 O\n0.516470 0.559192 0.909058 O\n0.909058 0.015280 0.516470 O\n0.330431 0.986791 0.410392 O\n0.410392 0.272386 0.330431 O\n0.977614 0.839608 0.263209 O\n0.263209 0.919569 0.977614 O\n0.956765 0.344485 0.508177 O\n0.508177 0.190573 0.956765 O\n0.059427 0.741823 0.905515 O\n0.905515 0.293235 0.059427 O\n0.691360 0.621978 0.876098 O\n0.876098 0.810563 0.691360 O\n0.439437 0.373902 0.628022 O\n0.628022 0.558640 0.439437 O\n0.224027 0.074932 0.146794 O\n0.146794 0.554247 0.224027 O\n0.695753 0.103206 0.175068 O\n0.175068 0.025973 0.695753 O\n",
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{
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"structure_string": "Li12 Co12 P12 O48\n1.0\n7.962336 0.000000 0.000000\n0.000000 8.666115 0.000000\n0.000000 8.554666 15.016367\nLi Co P O\n12 12 12 48\ndirect\n0.031705 0.709447 0.060272 Li\n0.952808 0.373027 0.407464 Li\n0.168011 0.997606 0.750104 Li\n0.668011 0.002394 0.749896 Li\n0.452808 0.626973 0.092536 Li\n0.531705 0.290553 0.439728 Li\n0.468295 0.709447 0.560272 Li\n0.547192 0.373027 0.907464 Li\n0.331989 0.997606 0.250104 Li\n0.831989 0.002394 0.249896 Li\n0.047192 0.626973 0.592536 Li\n0.968295 0.290553 0.939728 Li\n0.727488 0.363981 0.594906 Co\n0.783716 0.690372 0.227135 Co\n0.719601 0.961101 0.927920 Co\n0.219601 0.038899 0.572080 Co\n0.283716 0.309628 0.272865 Co\n0.227488 0.636019 0.905094 Co\n0.772512 0.363981 0.094906 Co\n0.716284 0.690372 0.727135 Co\n0.780399 0.961101 0.427920 Co\n0.280399 0.038899 0.072080 Co\n0.216284 0.309628 0.772865 Co\n0.272512 0.636019 0.405094 Co\n0.328848 0.354700 0.590874 P\n0.172436 0.681921 0.226029 P\n0.327157 0.956272 0.927634 P\n0.827157 0.043728 0.572366 P\n0.672436 0.318079 0.273971 P\n0.828848 0.645300 0.909126 P\n0.171152 0.354700 0.090874 P\n0.327564 0.681921 0.726029 P\n0.172843 0.956272 0.427634 P\n0.672843 0.043728 0.072366 P\n0.827564 0.318079 0.773971 P\n0.671152 0.645300 0.409126 P\n0.505533 0.570568 0.393466 O\n0.133167 0.577348 0.327943 O\n0.213252 0.906560 0.010216 O\n0.639849 0.841077 0.125164 O\n0.788939 0.484917 0.466501 O\n0.006378 0.730644 0.171687 O\n0.241719 0.231785 0.681601 O\n0.732390 0.143525 0.797468 O\n0.495061 0.852613 0.961871 O\n0.364748 0.246009 0.542672 O\n0.782176 0.429621 0.302034 O\n0.737055 0.105675 0.632172 O\n0.282176 0.570379 0.197966 O\n0.237055 0.894325 0.867828 O\n0.864748 0.753991 0.957328 O\n0.995061 0.147387 0.538129 O\n0.232390 0.856475 0.702532 O\n0.506378 0.269356 0.328313 O\n0.741719 0.768215 0.818399 O\n0.288939 0.515083 0.033499 O\n0.139849 0.158923 0.374836 O\n0.713252 0.093440 0.489784 O\n0.633167 0.422652 0.172057 O\n0.005533 0.429432 0.106534 O\n0.994467 0.570568 0.893466 O\n0.366833 0.577348 0.827943 O\n0.286748 0.906560 0.510216 O\n0.860151 0.841077 0.625164 O\n0.711061 0.484917 0.966501 O\n0.258281 0.231785 0.181601 O\n0.493622 0.730644 0.671687 O\n0.767610 0.143525 0.297468 O\n0.004939 0.852613 0.461871 O\n0.135252 0.246009 0.042672 O\n0.762945 0.105675 0.132172 O\n0.717824 0.429621 0.802034 O\n0.262945 0.894325 0.367828 O\n0.217824 0.570379 0.697966 O\n0.635252 0.753991 0.457328 O\n0.504939 0.147387 0.038129 O\n0.267610 0.856475 0.202532 O\n0.758281 0.768215 0.318399 O\n0.993622 0.269356 0.828313 O\n0.211061 0.515083 0.533499 O\n0.360151 0.158923 0.874836 O\n0.786748 0.093440 0.989784 O\n0.866833 0.422652 0.672057 O\n0.494467 0.429432 0.606534 O\n",
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{
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"structure_string": "Li16 Cr8 P12 O48\n1.0\n8.832591 0.000000 0.000000\n0.000000 9.038270 0.000000\n0.000000 8.875911 12.152781\nLi Cr P O\n16 8 12 48\ndirect\n0.414048 0.177251 0.783983 Li\n0.065206 0.736361 0.212039 Li\n0.763064 0.122931 0.678292 Li\n0.741594 0.460882 0.324096 Li\n0.241594 0.539118 0.175904 Li\n0.263064 0.877069 0.821708 Li\n0.565206 0.263639 0.287961 Li\n0.914048 0.822749 0.716017 Li\n0.085952 0.177251 0.283983 Li\n0.434794 0.736361 0.712039 Li\n0.736936 0.122931 0.178292 Li\n0.758406 0.460882 0.824096 Li\n0.258406 0.539118 0.675904 Li\n0.236936 0.877069 0.321708 Li\n0.934794 0.263639 0.787961 Li\n0.585952 0.822749 0.216017 Li\n0.049552 0.358779 0.390341 Cr\n0.953969 0.861071 0.891473 Cr\n0.549552 0.641221 0.109659 Cr\n0.453969 0.138929 0.608527 Cr\n0.546031 0.861071 0.391473 Cr\n0.450448 0.358779 0.890341 Cr\n0.046031 0.138929 0.108527 Cr\n0.950448 0.641221 0.609659 Cr\n0.243952 0.948259 0.000605 P\n0.397596 0.546150 0.351888 P\n0.109620 0.240108 0.653669 P\n0.609620 0.759892 0.846331 P\n0.897596 0.453850 0.148112 P\n0.743952 0.051741 0.499395 P\n0.256048 0.948259 0.500605 P\n0.102404 0.546150 0.851888 P\n0.390380 0.240108 0.153669 P\n0.890380 0.759892 0.346331 P\n0.602404 0.453850 0.648112 P\n0.756048 0.051741 0.999395 P\n0.864045 0.029149 0.926032 O\n0.667069 0.879242 0.082580 O\n0.891144 0.613540 0.324095 O\n0.580311 0.263162 0.667662 O\n0.342500 0.779090 0.080814 O\n0.237427 0.551011 0.307381 O\n0.413994 0.382658 0.471446 O\n0.268244 0.141515 0.691557 O\n0.154140 0.899833 0.930780 O\n0.073253 0.310135 0.537440 O\n0.980636 0.099283 0.731502 O\n0.525905 0.541698 0.280821 O\n0.025905 0.458302 0.219179 O\n0.480636 0.900717 0.768498 O\n0.573253 0.689865 0.962560 O\n0.913994 0.617342 0.028554 O\n0.654140 0.100167 0.569220 O\n0.768244 0.858485 0.808443 O\n0.737427 0.448989 0.192619 O\n0.842500 0.220910 0.419186 O\n0.391144 0.386460 0.175905 O\n0.080311 0.736838 0.832338 O\n0.167069 0.120758 0.417420 O\n0.364045 0.970851 0.573968 O\n0.635955 0.029149 0.426032 O\n0.832931 0.879242 0.582580 O\n0.919689 0.263162 0.167662 O\n0.608856 0.613540 0.824095 O\n0.157500 0.779090 0.580814 O\n0.262573 0.551011 0.807381 O\n0.231756 0.141515 0.191557 O\n0.345860 0.899833 0.430780 O\n0.086006 0.382658 0.971446 O\n0.426747 0.310135 0.037440 O\n0.519364 0.099283 0.231502 O\n0.974095 0.541698 0.780821 O\n0.474095 0.458302 0.719179 O\n0.019364 0.900717 0.268498 O\n0.926747 0.689865 0.462560 O\n0.845860 0.100167 0.069220 O\n0.731756 0.858485 0.308443 O\n0.586006 0.617342 0.528554 O\n0.762573 0.448989 0.692619 O\n0.657500 0.220910 0.919186 O\n0.419689 0.736838 0.332338 O\n0.108856 0.386460 0.675905 O\n0.332931 0.120758 0.917420 O\n0.135955 0.970851 0.073968 O\n",
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{
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