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{
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{
"id": "mp-1044166",
"created_at": "2022-09-04T14:41:58.509069Z",
"structure_string": "Mg4 Cr4 Bi4 O20\n1.0\n5.395351 -0.041384 0.000000\n-2.347798 7.376492 0.000000\n0.000000 0.000000 11.712064\nMg Cr Bi O\n4 4 4 20\ndirect\n0.628907 0.176720 0.920714 Mg\n0.371093 0.823280 0.079286 Mg\n0.871093 0.323280 0.420714 Mg\n0.128907 0.676720 0.579286 Mg\n0.784729 0.969882 0.647688 Cr\n0.215271 0.030118 0.352312 Cr\n0.715271 0.530118 0.147688 Cr\n0.284729 0.469882 0.852312 Cr\n0.120210 0.174204 0.097150 Bi\n0.879790 0.825796 0.902850 Bi\n0.620210 0.674204 0.402850 Bi\n0.379790 0.325796 0.597150 Bi\n0.580152 0.330323 0.073010 O\n0.033678 0.326262 0.932372 O\n0.497235 0.645053 0.174684 O\n0.757217 0.513531 0.525626 O\n0.799049 0.482897 0.285184 O\n0.299049 0.982897 0.214816 O\n0.533678 0.826262 0.567628 O\n0.466322 0.173738 0.432372 O\n0.242783 0.486469 0.474374 O\n0.919848 0.169677 0.573010 O\n0.200951 0.517103 0.714816 O\n0.419848 0.669677 0.926990 O\n0.080152 0.830323 0.426990 O\n0.700951 0.017103 0.785184 O\n0.742783 0.986469 0.025626 O\n0.257217 0.013531 0.974374 O\n0.502765 0.354947 0.825316 O\n0.966322 0.673738 0.067628 O\n0.002765 0.854947 0.674684 O\n0.997235 0.145053 0.325316 O\n",
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{
"id": "mp-1182454",
"created_at": "2022-09-04T14:41:49.649042Z",
"structure_string": "Mo8 C32 Br32 N8 O12\n1.0\n11.203100 0.000000 0.000000\n0.000000 11.372143 0.000000\n0.000000 0.000000 26.241309\nMo C Br N O\n8 32 32 8 12\ndirect\n0.995531 0.043165 0.411346 Mo\n0.495531 0.456835 0.588654 Mo\n0.504469 0.956835 0.911346 Mo\n0.004469 0.543165 0.088654 Mo\n0.737895 0.988419 0.343072 Mo\n0.237895 0.511581 0.656928 Mo\n0.762105 0.011581 0.843072 Mo\n0.262105 0.488419 0.156928 Mo\n0.143507 0.133880 0.717478 C\n0.643507 0.366120 0.282522 C\n0.356493 0.866120 0.217478 C\n0.856493 0.633880 0.782522 C\n0.187046 0.029620 0.736864 C\n0.687046 0.470380 0.263136 C\n0.312954 0.970380 0.236864 C\n0.812954 0.529620 0.763136 C\n0.250025 0.134015 0.743736 C\n0.750025 0.365985 0.256264 C\n0.249975 0.865985 0.243736 C\n0.749975 0.634015 0.756264 C\n0.158708 0.813613 0.752805 C\n0.658708 0.686387 0.247195 C\n0.341292 0.186387 0.252805 C\n0.841292 0.313613 0.747195 C\n0.796293 0.000744 0.607367 C\n0.296293 0.499256 0.392633 C\n0.703707 0.999256 0.107367 C\n0.203707 0.500744 0.892633 C\n0.726237 0.889072 0.603225 C\n0.226237 0.610928 0.396775 C\n0.773763 0.110928 0.103225 C\n0.273763 0.389072 0.896775 C\n0.636237 0.978196 0.619911 C\n0.136237 0.521804 0.380089 C\n0.863763 0.021804 0.119911 C\n0.363763 0.478196 0.880089 C\n0.696483 0.954058 0.555374 C\n0.196483 0.545942 0.444626 C\n0.803517 0.045942 0.055374 C\n0.303517 0.454058 0.944626 C\n0.944508 0.875071 0.342858 Br\n0.444508 0.624929 0.657142 Br\n0.555492 0.124929 0.842858 Br\n0.055492 0.375071 0.157142 Br\n0.893916 0.167185 0.336786 Br\n0.393916 0.332815 0.663214 Br\n0.606084 0.832815 0.836786 Br\n0.106084 0.667185 0.163214 Br\n0.921990 0.195476 0.470002 Br\n0.421990 0.304524 0.529998 Br\n0.578010 0.804524 0.970002 Br\n0.078010 0.695476 0.029998 Br\n0.983522 0.884835 0.475767 Br\n0.483522 0.615165 0.524233 Br\n0.516478 0.115165 0.975767 Br\n0.016478 0.384835 0.024233 Br\n0.201639 0.081805 0.390768 Br\n0.701639 0.418195 0.609232 Br\n0.298361 0.918195 0.890768 Br\n0.798361 0.581805 0.109232 Br\n0.653669 0.816695 0.388345 Br\n0.153669 0.683305 0.611655 Br\n0.846331 0.183305 0.888345 Br\n0.346331 0.316695 0.111655 Br\n0.604367 0.125050 0.387882 Br\n0.104367 0.374950 0.612118 Br\n0.895633 0.874950 0.887882 Br\n0.395633 0.625050 0.112118 Br\n0.698634 0.983926 0.252772 Br\n0.198634 0.516074 0.747228 Br\n0.801366 0.016074 0.752772 Br\n0.301366 0.483926 0.247228 Br\n0.175695 0.915532 0.744524 N\n0.675695 0.584468 0.255476 N\n0.324305 0.084468 0.244524 N\n0.824305 0.415532 0.755476 N\n0.693270 0.064965 0.585151 N\n0.193270 0.435035 0.414849 N\n0.806730 0.935035 0.085151 N\n0.306730 0.564965 0.914849 N\n0.188924 0.049804 0.034840 O\n0.688924 0.450196 0.965160 O\n0.311076 0.950196 0.534840 O\n0.811076 0.549804 0.465160 O\n0.266584 0.967660 0.041001 O\n0.766584 0.532340 0.958999 O\n0.233416 0.032340 0.541001 O\n0.733416 0.467660 0.458999 O\n0.146450 0.066170 0.989835 O\n0.646450 0.433830 0.010165 O\n0.353550 0.933830 0.489835 O\n0.853550 0.566170 0.510165 O\n",
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"elements": [
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"formula_full": "Mo8 C32 Br32 N8 O12",
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"energy": -495.12358072,
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{
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"structure_string": "C26 Cl24\n1.0\n8.525338 0.007006 -1.099146\n-4.243346 7.666268 -0.141423\n-0.000398 -0.166337 16.225209\nC Cl\n26 24\ndirect\n0.019183 0.878714 0.159575 C\n0.980817 0.121286 0.840425 C\n0.150058 0.179598 0.881663 C\n0.849942 0.820402 0.118337 C\n0.524369 0.400420 0.320424 C\n0.475631 0.599580 0.679576 C\n0.128937 0.061616 0.197343 C\n0.871063 0.938384 0.802657 C\n0.387395 0.429212 0.639511 C\n0.612605 0.570788 0.360489 C\n0.245221 0.113603 0.271379 C\n0.754779 0.886397 0.728621 C\n0.081736 0.183293 0.153238 C\n0.918264 0.816707 0.846762 C\n0.227535 0.059567 0.898349 C\n0.772465 0.940433 0.101651 C\n0.485020 0.367167 0.599039 C\n0.514980 0.632833 0.400961 C\n0.338681 0.291205 0.317950 C\n0.661319 0.708795 0.682050 C\n0.245433 0.351948 0.362866 C\n0.754567 0.648052 0.637134 C\n0.913435 0.129554 0.112471 C\n0.086565 0.870446 0.887529 C\n0.331840 0.521968 0.403631 C\n0.668160 0.478032 0.596369 C\n0.642690 0.326901 0.269731 Cl\n0.357310 0.673099 0.730269 Cl\n0.242211 0.397374 0.152651 Cl\n0.757789 0.602626 0.847349 Cl\n0.163850 0.296034 0.641058 Cl\n0.836150 0.703966 0.358942 Cl\n0.710246 0.604934 0.085222 Cl\n0.289754 0.395066 0.914778 Cl\n0.380336 0.157806 0.552492 Cl\n0.619664 0.842194 0.447508 Cl\n0.214702 0.595155 0.455622 Cl\n0.785298 0.404845 0.544378 Cl\n0.390275 0.097305 0.827431 Cl\n0.609725 0.902695 0.172569 Cl\n0.346316 0.110072 0.003585 Cl\n0.653684 0.889928 0.996415 Cl\n0.022254 0.217687 0.366874 Cl\n0.977746 0.782313 0.633126 Cl\n0.103423 0.736151 0.164876 Cl\n0.896577 0.263849 0.835124 Cl\n0.850510 0.273969 0.072832 Cl\n0.149490 0.726031 0.927168 Cl\n0.711029 0.030211 0.672093 Cl\n0.288971 0.969789 0.327907 Cl\n",
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{
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{
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"structure_string": "Li4 V4 P8 H4 O32\n1.0\n7.985956 0.000000 0.000000\n0.000000 7.740476 0.000000\n0.000000 3.606190 9.037168\nLi V P H O\n4 4 8 4 32\ndirect\n0.629814 0.601229 0.522573 Li\n0.129814 0.398771 0.477427 Li\n0.868341 0.102133 0.028099 Li\n0.368341 0.897867 0.971901 Li\n0.504167 0.236560 0.503061 V\n0.004167 0.763440 0.496939 V\n0.495064 0.257357 0.998790 V\n0.995064 0.742643 0.001210 V\n0.153609 0.018678 0.683867 P\n0.346908 0.513427 0.682065 P\n0.653609 0.981322 0.316133 P\n0.149907 0.018271 0.181046 P\n0.846908 0.486573 0.317935 P\n0.342264 0.512444 0.184513 P\n0.649907 0.981729 0.818954 P\n0.842264 0.487556 0.815487 P\n0.492348 0.741848 0.741384 H\n0.493649 0.740231 0.241432 H\n0.992348 0.258152 0.258616 H\n0.993649 0.259769 0.758568 H\n0.058151 0.198728 0.658253 O\n0.669880 0.111123 0.654223 O\n0.327089 0.066202 0.610402 O\n0.056280 0.898870 0.609602 O\n0.451940 0.691238 0.655072 O\n0.825630 0.605703 0.649163 O\n0.175808 0.561909 0.604541 O\n0.450297 0.403994 0.603131 O\n0.556280 0.101130 0.390398 O\n0.827089 0.933798 0.389598 O\n0.169880 0.888877 0.345777 O\n0.558151 0.801272 0.341747 O\n0.950297 0.596006 0.396869 O\n0.675808 0.438091 0.395459 O\n0.045378 0.191208 0.156899 O\n0.671363 0.106313 0.150304 O\n0.325630 0.394297 0.350837 O\n0.951940 0.308762 0.344928 O\n0.322754 0.060658 0.104351 O\n0.048808 0.903202 0.102881 O\n0.439932 0.696261 0.155778 O\n0.828805 0.609734 0.153075 O\n0.172110 0.567062 0.108331 O\n0.441855 0.395570 0.111294 O\n0.548808 0.096798 0.897119 O\n0.822754 0.939342 0.895649 O\n0.171363 0.893687 0.849696 O\n0.545378 0.808792 0.843101 O\n0.941855 0.604430 0.888706 O\n0.672110 0.432938 0.891669 O\n0.328805 0.390266 0.846925 O\n0.939932 0.303739 0.844222 O\n",
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{
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]
}