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{
"id": "mp-25403",
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"structure_string": "Li8 V4 P4 O16 F4\n1.0\n3.991799 5.262235 3.255651\n-6.348792 4.877005 -0.061484\n-0.047460 0.055593 7.452342\nLi V P O F\n8 4 4 16 4\ndirect\n0.648637 0.807371 0.121962 Li\n0.148629 0.307375 0.122025 Li\n0.661263 0.172682 0.863063 Li\n0.161284 0.672657 0.863032 Li\n0.283639 0.768720 0.471069 Li\n0.783618 0.268708 0.471114 Li\n0.382682 0.163765 0.708678 Li\n0.882712 0.663715 0.708697 Li\n0.999301 0.002933 0.013579 V\n0.502832 0.496657 0.508693 V\n0.499436 0.502879 0.013393 V\n0.002723 0.996626 0.508838 V\n0.483420 0.139553 0.261505 P\n0.983464 0.639506 0.261444 P\n0.511692 0.859981 0.767165 P\n0.011729 0.359973 0.767313 P\n0.455200 0.744656 0.631640 O\n0.954991 0.244654 0.631970 O\n0.523904 0.238161 0.419711 O\n0.023874 0.738110 0.419697 O\n0.672060 0.997803 0.654845 O\n0.172054 0.497811 0.654932 O\n0.599568 0.746849 0.881116 O\n0.099612 0.246855 0.881218 O\n0.408533 0.258764 0.142503 O\n0.908507 0.758752 0.142519 O\n0.681840 0.056430 0.100753 O\n0.181902 0.556505 0.100685 O\n0.328306 0.999445 0.368362 O\n0.828370 0.499390 0.368249 O\n0.318565 0.957757 0.904167 O\n0.818591 0.457860 0.904213 O\n0.529773 0.360230 0.749801 F\n0.029736 0.860201 0.749919 F\n0.479052 0.626487 0.272440 F\n0.978982 0.126434 0.272511 F\n",
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{
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"structure_string": "H64 C16 S16 N32 Cl16\n1.0\n9.038153 0.000000 0.000000\n0.000000 10.658875 0.000000\n0.000000 0.000000 19.818938\nH C S N Cl\n64 16 16 32 16\ndirect\n0.944236 0.793058 0.482096 H\n0.444236 0.706942 0.517904 H\n0.055764 0.293058 0.017904 H\n0.555764 0.206942 0.982096 H\n0.055764 0.206942 0.517904 H\n0.555764 0.293058 0.482096 H\n0.944236 0.706942 0.982096 H\n0.444236 0.793058 0.017904 H\n0.950761 0.863352 0.402153 H\n0.450761 0.636648 0.597847 H\n0.049239 0.363352 0.097847 H\n0.549239 0.136648 0.902153 H\n0.049239 0.136648 0.597847 H\n0.549239 0.363352 0.402153 H\n0.950761 0.636648 0.902153 H\n0.450761 0.863352 0.097847 H\n0.780918 0.855903 0.562769 H\n0.280918 0.644097 0.437231 H\n0.219082 0.355903 0.937231 H\n0.719082 0.144097 0.062769 H\n0.219082 0.144097 0.437231 H\n0.719082 0.355903 0.562769 H\n0.780918 0.644097 0.062769 H\n0.280918 0.855903 0.937231 H\n0.673689 0.996577 0.551137 H\n0.173689 0.503423 0.448863 H\n0.326311 0.496577 0.948863 H\n0.826311 0.003423 0.051137 H\n0.326311 0.003423 0.448863 H\n0.826311 0.496577 0.551137 H\n0.673689 0.503423 0.051137 H\n0.173689 0.996577 0.948863 H\n0.605763 0.822031 0.265516 H\n0.105763 0.677969 0.734484 H\n0.394237 0.322031 0.234484 H\n0.894237 0.177969 0.765516 H\n0.394237 0.177969 0.734484 H\n0.894237 0.322031 0.265516 H\n0.605763 0.677969 0.765516 H\n0.105763 0.822031 0.234484 H\n0.610583 0.879136 0.350036 H\n0.110583 0.620864 0.649964 H\n0.389417 0.379136 0.149964 H\n0.889417 0.120864 0.850036 H\n0.389417 0.120864 0.649964 H\n0.889417 0.379136 0.350036 H\n0.610583 0.620864 0.850036 H\n0.110583 0.879136 0.149964 H\n0.863518 0.039268 0.201410 H\n0.363518 0.460732 0.798590 H\n0.136482 0.539268 0.298590 H\n0.636482 0.960732 0.701410 H\n0.136482 0.960732 0.798590 H\n0.636482 0.539268 0.201410 H\n0.863518 0.460732 0.701410 H\n0.363518 0.039268 0.298590 H\n0.772216 0.893673 0.185472 H\n0.272216 0.606327 0.814528 H\n0.227784 0.393673 0.314528 H\n0.727784 0.106327 0.685472 H\n0.227784 0.106327 0.814528 H\n0.727784 0.393673 0.185472 H\n0.772216 0.606327 0.685472 H\n0.272216 0.893673 0.314528 H\n0.807191 0.941730 0.472591 C\n0.307191 0.558270 0.527409 C\n0.192809 0.441730 0.027409 C\n0.692809 0.058270 0.972591 C\n0.192809 0.058270 0.527409 C\n0.692809 0.441730 0.472591 C\n0.807191 0.558270 0.972591 C\n0.307191 0.941730 0.027409 C\n0.756497 0.958542 0.281735 C\n0.256497 0.541458 0.718265 C\n0.243503 0.458542 0.218265 C\n0.743503 0.041458 0.781735 C\n0.243503 0.041458 0.718265 C\n0.743503 0.458542 0.281735 C\n0.756497 0.541458 0.781735 C\n0.256497 0.958542 0.218265 C\n0.731057 0.065698 0.423235 S\n0.231057 0.434302 0.576765 S\n0.268943 0.565698 0.076765 S\n0.768943 0.934302 0.923235 S\n0.268943 0.934302 0.576765 S\n0.768943 0.565698 0.423235 S\n0.731057 0.434302 0.923235 S\n0.231057 0.065698 0.076765 S\n0.852322 0.063444 0.336893 S\n0.352322 0.436556 0.663107 S\n0.147678 0.563444 0.163107 S\n0.647678 0.936556 0.836893 S\n0.147678 0.936556 0.663107 S\n0.647678 0.563444 0.336893 S\n0.852322 0.436556 0.836893 S\n0.352322 0.063444 0.163107 S\n0.912197 0.866004 0.450921 N\n0.412197 0.633996 0.549079 N\n0.087803 0.366004 0.049079 N\n0.587803 0.133996 0.950921 N\n0.087803 0.133996 0.549079 N\n0.587803 0.366004 0.450921 N\n0.912197 0.633996 0.950921 N\n0.412197 0.866004 0.049079 N\n0.748014 0.930364 0.533364 N\n0.248014 0.569636 0.466636 N\n0.251986 0.430364 0.966636 N\n0.751986 0.069636 0.033364 N\n0.251986 0.069636 0.466636 N\n0.751986 0.430364 0.533364 N\n0.748014 0.569636 0.033364 N\n0.248014 0.930364 0.966636 N\n0.653445 0.880134 0.301990 N\n0.153445 0.619866 0.698010 N\n0.346555 0.380134 0.198010 N\n0.846555 0.119866 0.801990 N\n0.346555 0.119866 0.698010 N\n0.846555 0.380134 0.301990 N\n0.653445 0.619866 0.801990 N\n0.153445 0.880134 0.198010 N\n0.805228 0.961660 0.218899 N\n0.305228 0.538340 0.781101 N\n0.194772 0.461660 0.281101 N\n0.694772 0.038340 0.718899 N\n0.194772 0.038340 0.781101 N\n0.694772 0.461660 0.218899 N\n0.805228 0.538340 0.718899 N\n0.305228 0.961660 0.281101 N\n0.932066 0.678283 0.575089 Cl\n0.432066 0.821717 0.424911 Cl\n0.067934 0.178283 0.924911 Cl\n0.567934 0.321717 0.075089 Cl\n0.067934 0.321717 0.424911 Cl\n0.567934 0.178283 0.575089 Cl\n0.932066 0.821717 0.075089 Cl\n0.432066 0.678283 0.924911 Cl\n0.546650 0.720702 0.178258 Cl\n0.046650 0.779298 0.821742 Cl\n0.453350 0.220702 0.321742 Cl\n0.953350 0.279298 0.678258 Cl\n0.453350 0.279298 0.821742 Cl\n0.953350 0.220702 0.178258 Cl\n0.546650 0.779298 0.678258 Cl\n0.046650 0.720702 0.321742 Cl\n",
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{
"id": "mp-1229109",
"created_at": "2022-09-04T14:39:09.138310Z",
"structure_string": "Cs2 Os1 Br1 Cl1 F4\n1.0\n-3.639443 3.639443 4.363197\n3.639443 -3.639443 4.363197\n3.639443 3.639443 -4.363197\nCs Os Br Cl F\n2 1 1 1 4\ndirect\n0.748664 0.248664 0.500000 Cs\n0.248664 0.748664 0.500000 Cs\n0.999733 0.999733 0.000000 Os\n0.286922 0.286922 0.000000 Br\n0.730116 0.730116 0.000000 Cl\n0.806768 0.806768 0.616785 F\n0.189983 0.189983 0.383215 F\n0.189983 0.806768 0.000000 F\n0.806768 0.189983 0.000000 F\n",
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{
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"structure_string": "Li16 V8 P8 O32 F8\n1.0\n6.510645 0.000000 0.000000\n0.000000 10.752104 0.000000\n0.000000 0.000000 11.170775\nLi V P O F\n16 8 8 32 8\ndirect\n0.750000 0.026568 0.270711 Li\n0.250000 0.231231 0.084221 Li\n0.505896 0.239692 0.332069 Li\n0.994104 0.239692 0.332069 Li\n0.005896 0.260308 0.832069 Li\n0.494104 0.260308 0.832069 Li\n0.750000 0.268769 0.584221 Li\n0.250000 0.473432 0.770711 Li\n0.750000 0.526568 0.229289 Li\n0.250000 0.731231 0.415779 Li\n0.505896 0.739692 0.167931 Li\n0.994104 0.739692 0.167931 Li\n0.005896 0.760308 0.667931 Li\n0.494104 0.760308 0.667931 Li\n0.750000 0.768769 0.915779 Li\n0.250000 0.973432 0.729289 Li\n0.000000 0.000000 0.000000 V\n0.500000 0.000000 0.000000 V\n0.000000 0.000000 0.500000 V\n0.500000 0.000000 0.500000 V\n0.000000 0.500000 0.500000 V\n0.500000 0.500000 0.500000 V\n0.000000 0.500000 0.000000 V\n0.500000 0.500000 0.000000 V\n0.750000 0.020762 0.746128 P\n0.750000 0.245867 0.080070 P\n0.250000 0.254133 0.580070 P\n0.250000 0.479238 0.246128 P\n0.750000 0.520762 0.753872 P\n0.750000 0.745867 0.419930 P\n0.250000 0.754133 0.919930 P\n0.250000 0.979238 0.253872 P\n0.250000 0.028990 0.122292 O\n0.056070 0.034957 0.314865 O\n0.443930 0.034957 0.314865 O\n0.250000 0.110432 0.561652 O\n0.750000 0.165261 0.744620 O\n0.553695 0.195855 0.016688 O\n0.946305 0.195855 0.016688 O\n0.750000 0.215791 0.215694 O\n0.250000 0.284209 0.715694 O\n0.053695 0.304145 0.516688 O\n0.446305 0.304145 0.516688 O\n0.250000 0.334739 0.244620 O\n0.750000 0.389568 0.061652 O\n0.556070 0.465043 0.814865 O\n0.943930 0.465043 0.814865 O\n0.750000 0.471010 0.622292 O\n0.250000 0.528990 0.377708 O\n0.056070 0.534957 0.185135 O\n0.443930 0.534957 0.185135 O\n0.250000 0.610432 0.938348 O\n0.750000 0.665261 0.755380 O\n0.553695 0.695855 0.483312 O\n0.946305 0.695855 0.483312 O\n0.750000 0.715791 0.284306 O\n0.250000 0.784209 0.784306 O\n0.053695 0.804145 0.983312 O\n0.446305 0.804145 0.983312 O\n0.250000 0.834739 0.255380 O\n0.750000 0.889568 0.438348 O\n0.556070 0.965043 0.685135 O\n0.943930 0.965043 0.685135 O\n0.750000 0.971010 0.877708 O\n0.250000 0.052118 0.883352 F\n0.750000 0.128968 0.468718 F\n0.250000 0.371032 0.968718 F\n0.750000 0.447882 0.383352 F\n0.250000 0.552118 0.616648 F\n0.750000 0.628968 0.031282 F\n0.250000 0.871032 0.531282 F\n0.750000 0.947882 0.116648 F\n",
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{
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"structure_string": "Mn4 Tl4 H8 O4 F16\n1.0\n3.364173 6.922866 0.000000\n-3.364173 6.922866 0.000000\n0.000000 2.487282 10.462898\nMn Tl H O F\n4 4 8 4 16\ndirect\n0.000000 0.500000 0.500000 Mn\n0.500000 0.000000 0.000000 Mn\n0.242890 0.757110 0.250000 Mn\n0.757110 0.242890 0.750000 Mn\n0.655363 0.179720 0.437036 Tl\n0.820280 0.344637 0.062964 Tl\n0.344637 0.820280 0.562964 Tl\n0.179720 0.655363 0.937036 Tl\n0.087821 0.272684 0.295694 H\n0.727316 0.912179 0.204306 H\n0.912179 0.727316 0.704306 H\n0.272684 0.087821 0.795694 H\n0.174574 0.416349 0.247325 H\n0.583651 0.825426 0.252675 H\n0.825426 0.583651 0.752675 H\n0.416349 0.174574 0.747325 H\n0.049889 0.420832 0.298315 O\n0.579168 0.950111 0.201685 O\n0.950111 0.579168 0.701685 O\n0.420832 0.049889 0.798315 O\n0.148082 0.637105 0.437348 F\n0.362895 0.851918 0.062652 F\n0.851918 0.362895 0.562652 F\n0.637105 0.148082 0.937348 F\n0.727760 0.773212 0.466714 F\n0.226788 0.272240 0.033286 F\n0.272240 0.226788 0.533286 F\n0.773212 0.727760 0.966714 F\n0.974036 0.884134 0.184917 F\n0.115866 0.025964 0.315083 F\n0.025964 0.115866 0.815083 F\n0.884134 0.974036 0.684917 F\n0.366899 0.486179 0.188725 F\n0.513821 0.633101 0.311275 F\n0.633101 0.513821 0.811275 F\n0.486179 0.366899 0.688725 F\n",
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{
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