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{
"id": "mp-1202242",
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"structure_string": "Na4 Mg4 H8 C12 O28\n1.0\n5.914242 0.000000 0.000000\n0.000000 15.830235 0.000000\n-1.597988 0.000000 7.152718\nNa Mg H C O\n4 4 8 12 28\ndirect\n0.468861 0.179119 0.296703 Na\n0.531139 0.679119 0.203297 Na\n0.531139 0.820881 0.703297 Na\n0.468861 0.320881 0.796703 Na\n0.277007 0.398404 0.217531 Mg\n0.722993 0.898404 0.282469 Mg\n0.722993 0.601596 0.782469 Mg\n0.277007 0.101596 0.717531 Mg\n0.174286 0.469728 0.876543 H\n0.825714 0.969728 0.623457 H\n0.825714 0.530272 0.123457 H\n0.174286 0.030272 0.376543 H\n0.050512 0.378297 0.864578 H\n0.949488 0.878297 0.635422 H\n0.949488 0.621703 0.135422 H\n0.050512 0.121703 0.364578 H\n0.496686 0.535720 0.427550 C\n0.503314 0.035720 0.072450 C\n0.503314 0.464280 0.572450 C\n0.496686 0.964280 0.927550 C\n0.804093 0.351416 0.215584 C\n0.195907 0.851416 0.284416 C\n0.195907 0.648584 0.784416 C\n0.804093 0.148584 0.715584 C\n0.952342 0.268851 0.249326 C\n0.047658 0.768851 0.250674 C\n0.047658 0.731149 0.750674 C\n0.952342 0.231149 0.749326 C\n0.391133 0.521392 0.260368 O\n0.608867 0.021392 0.239632 O\n0.608867 0.478608 0.739632 O\n0.391133 0.978608 0.760368 O\n0.599072 0.603857 0.487782 O\n0.400928 0.103857 0.012218 O\n0.400928 0.396143 0.512218 O\n0.599072 0.896143 0.987782 O\n0.586492 0.342339 0.187141 O\n0.413508 0.842339 0.312859 O\n0.413508 0.657661 0.812859 O\n0.586492 0.157661 0.687141 O\n0.916373 0.419961 0.218373 O\n0.083627 0.919961 0.281627 O\n0.083627 0.580039 0.781627 O\n0.916373 0.080039 0.718373 O\n0.163047 0.276575 0.237346 O\n0.836953 0.776575 0.262654 O\n0.836953 0.723425 0.762654 O\n0.163047 0.223425 0.737346 O\n0.857295 0.201809 0.286693 O\n0.142705 0.701809 0.213307 O\n0.142705 0.798191 0.713307 O\n0.857295 0.298191 0.786693 O\n0.190737 0.411593 0.927174 O\n0.809263 0.911593 0.572826 O\n0.809263 0.588407 0.072826 O\n0.190737 0.088407 0.427174 O\n",
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{
"id": "mp-1080634",
"created_at": "2022-09-04T14:42:54.234506Z",
"structure_string": "Ce16 Se32\n1.0\n9.270986 -9.270986 0.000000\n9.270986 9.270986 0.000000\n-9.270986 -0.000000 23.534196\nCe Se\n16 32\ndirect\n0.433841 0.183841 0.250000 Ce\n0.433841 0.566159 0.250000 Ce\n0.183841 0.433841 0.750000 Ce\n0.183841 0.816159 0.750000 Ce\n0.816159 0.183841 0.250000 Ce\n0.816159 0.566159 0.250000 Ce\n0.566159 0.433841 0.750000 Ce\n0.566159 0.816159 0.750000 Ce\n0.986465 0.943385 0.386770 Ce\n0.943385 0.986465 0.886770 Ce\n0.943385 0.400306 0.886770 Ce\n0.400306 0.943385 0.386770 Ce\n0.013535 0.056615 0.613230 Ce\n0.056615 0.013535 0.113230 Ce\n0.056615 0.599694 0.113230 Ce\n0.599694 0.056615 0.613230 Ce\n0.437303 0.095614 0.336736 Se\n0.437303 0.741122 0.336736 Se\n0.095614 0.437303 0.836736 Se\n0.095614 0.899432 0.836736 Se\n0.899432 0.095614 0.336736 Se\n0.899432 0.741122 0.336736 Se\n0.741122 0.437303 0.836736 Se\n0.741122 0.899432 0.836736 Se\n0.562697 0.904386 0.663264 Se\n0.562697 0.258878 0.663264 Se\n0.904386 0.562697 0.163264 Se\n0.904386 0.100568 0.163264 Se\n0.100568 0.904386 0.663264 Se\n0.100568 0.258878 0.663264 Se\n0.258878 0.562697 0.163264 Se\n0.258878 0.100568 0.163264 Se\n0.132229 0.604383 0.708765 Se\n0.604383 0.132229 0.208765 Se\n0.604383 0.576536 0.208765 Se\n0.576536 0.604383 0.708765 Se\n0.867771 0.395617 0.291235 Se\n0.395617 0.867771 0.791235 Se\n0.395617 0.423464 0.791235 Se\n0.423464 0.395617 0.291235 Se\n0.190386 0.940386 0.380773 Se\n0.940386 0.190386 0.880773 Se\n0.809614 0.059614 0.619227 Se\n0.059614 0.809614 0.119227 Se\n0.000000 0.000000 0.500000 Se\n0.000000 0.000000 0.000000 Se\n0.000000 0.500000 0.000000 Se\n0.500000 0.000000 0.500000 Se\n",
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{
"id": "mp-725605",
"created_at": "2022-09-04T14:42:04.300417Z",
"structure_string": "Cd4 C12 S12 N20\n1.0\n7.352274 0.000000 0.000000\n0.000000 11.316996 0.000000\n0.000000 0.000000 12.834989\nCd C S N\n4 12 12 20\ndirect\n0.188148 0.924497 0.758019 Cd\n0.311852 0.075503 0.258019 Cd\n0.688148 0.575503 0.241981 Cd\n0.811852 0.424497 0.741981 Cd\n0.408661 0.026614 0.550590 C\n0.091339 0.973386 0.050590 C\n0.908661 0.473386 0.449410 C\n0.591339 0.526614 0.949410 C\n0.149957 0.623328 0.777316 C\n0.350043 0.376672 0.277316 C\n0.649957 0.876672 0.222684 C\n0.850043 0.123328 0.722684 C\n0.479212 0.160497 0.911554 C\n0.020788 0.839503 0.411554 C\n0.979212 0.339503 0.088446 C\n0.520788 0.660497 0.588446 C\n0.484823 0.121154 0.466341 S\n0.015177 0.878846 0.966341 S\n0.984823 0.378846 0.533659 S\n0.515177 0.621154 0.033659 S\n0.140965 0.482190 0.805423 S\n0.359035 0.517810 0.305423 S\n0.640965 0.017810 0.194577 S\n0.859035 0.982190 0.694577 S\n0.311920 0.145351 0.828361 S\n0.188080 0.854649 0.328361 S\n0.811920 0.354649 0.171639 S\n0.688080 0.645351 0.671639 S\n0.487067 0.878253 0.863756 N\n0.012933 0.121747 0.363756 N\n0.987067 0.621747 0.136244 N\n0.512933 0.378253 0.636244 N\n0.353128 0.958553 0.613217 N\n0.146872 0.041447 0.113217 N\n0.853128 0.541447 0.386783 N\n0.646872 0.458553 0.886783 N\n0.163517 0.724975 0.759526 N\n0.336483 0.275025 0.259526 N\n0.663517 0.775025 0.240474 N\n0.836483 0.224975 0.740474 N\n0.600808 0.180094 0.969953 N\n0.899192 0.819906 0.469953 N\n0.100808 0.319906 0.030047 N\n0.399192 0.680094 0.530047 N\n0.585730 0.912666 0.922514 N\n0.914270 0.087334 0.422514 N\n0.085730 0.587334 0.077486 N\n0.414270 0.412666 0.577486 N\n",
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{
"id": "mp-652025",
"created_at": "2022-09-04T14:42:25.293266Z",
"structure_string": "Na8 Si7 O18\n1.0\n6.278122 0.000000 0.000000\n-2.272012 8.779477 0.000000\n-2.115172 -3.159592 10.290695\nNa Si O\n8 7 18\ndirect\n0.271598 0.704389 0.263241 Na\n0.582544 0.311387 0.723619 Na\n0.465850 0.549089 0.965683 Na\n0.947084 0.873375 0.463207 Na\n0.404381 0.484568 0.479603 Na\n0.960161 0.435161 0.990969 Na\n0.578225 0.110018 0.484967 Na\n0.919970 0.567098 0.548710 Na\n0.971852 0.019501 0.011254 Si\n0.940839 0.690660 0.855742 Si\n0.790220 0.540227 0.264667 Si\n0.120317 0.088772 0.257907 Si\n0.348882 0.333950 0.154140 Si\n0.096312 0.365153 0.685575 Si\n0.785286 0.932116 0.751817 Si\n0.287092 0.484559 0.129542 O\n0.879400 0.636034 0.170120 O\n0.707379 0.963419 0.618471 O\n0.755064 0.543829 0.863845 O\n0.124510 0.331189 0.824644 O\n0.204244 0.995395 0.352137 O\n0.260217 0.312554 0.597538 O\n0.199598 0.167020 0.031750 O\n0.835628 0.335195 0.602080 O\n0.689047 0.622660 0.378920 O\n0.020610 0.847921 0.986497 O\n0.171143 0.629997 0.433129 O\n0.004705 0.479450 0.344077 O\n0.619769 0.352061 0.175246 O\n0.288708 0.269642 0.281936 O\n0.216702 0.581470 0.724261 O\n0.203355 0.679157 0.852368 O\n0.849309 0.762984 0.732335 O\n",
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{
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"structure_string": "Ti4 H22 N16 F24\n1.0\n-7.724821 0.000000 0.537275\n0.033082 0.000000 -9.754421\n0.000000 -10.065929 0.000000\nTi H N F\n4 22 16 24\ndirect\n0.752707 0.003946 0.822452 Ti\n0.247293 0.996054 0.322452 Ti\n0.282568 0.513195 0.639804 Ti\n0.717432 0.486805 0.139804 Ti\n0.153212 0.273623 0.252046 H\n0.846788 0.726377 0.752046 H\n0.840870 0.628129 0.417318 H\n0.159130 0.371871 0.917318 H\n0.927162 0.775524 0.507057 H\n0.072838 0.224476 0.007057 H\n0.563061 0.687271 0.476101 H\n0.436939 0.312729 0.976101 H\n0.648866 0.841606 0.545133 H\n0.351134 0.158394 0.045133 H\n0.656871 0.815417 0.377714 H\n0.343129 0.184583 0.877714 H\n0.084203 0.716414 0.963412 H\n0.915797 0.283586 0.463412 H\n0.175228 0.856821 0.050170 H\n0.824772 0.143179 0.550170 H\n0.368432 0.659948 0.902961 H\n0.631568 0.340052 0.402961 H\n0.351579 0.656940 0.075811 H\n0.648421 0.343060 0.575811 H\n0.453451 0.789338 0.994442 H\n0.546549 0.210662 0.494442 H\n0.739937 0.949138 0.240681 N\n0.260063 0.050862 0.740681 N\n0.740597 0.047488 0.184815 N\n0.259403 0.952512 0.684815 N\n0.232552 0.556154 0.261152 N\n0.767448 0.443846 0.761152 N\n0.208885 0.442590 0.258000 N\n0.791115 0.557410 0.758000 N\n0.823722 0.708681 0.483628 N\n0.176278 0.291319 0.983628 N\n0.664849 0.767256 0.469917 N\n0.335151 0.232744 0.969917 N\n0.191440 0.783620 0.977485 N\n0.808560 0.216380 0.477485 N\n0.346309 0.717483 0.990690 N\n0.653691 0.282517 0.490690 N\n0.931681 0.013396 0.941618 F\n0.068319 0.986604 0.441618 F\n0.890532 0.124408 0.715993 F\n0.109468 0.875592 0.215993 F\n0.637270 0.958105 0.658188 F\n0.362730 0.041895 0.158188 F\n0.632519 0.859244 0.911665 F\n0.367481 0.140756 0.411665 F\n0.896658 0.820635 0.744161 F\n0.103342 0.179365 0.244161 F\n0.610841 0.127917 0.881024 F\n0.389159 0.872083 0.381024 F\n0.452511 0.546262 0.500682 F\n0.547489 0.453738 0.000682 F\n0.427660 0.639406 0.746165 F\n0.572340 0.360594 0.246165 F\n0.153582 0.491778 0.803523 F\n0.846418 0.508222 0.303523 F\n0.129021 0.391557 0.545828 F\n0.870979 0.608443 0.045828 F\n0.158995 0.655741 0.577217 F\n0.841005 0.344259 0.077217 F\n0.412962 0.363191 0.689267 F\n0.587038 0.636809 0.189267 F\n",
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{
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"structure_string": "Ni4 H8 Cl8 O16\n1.0\n9.863673 0.000000 0.000000\n0.000000 5.622505 0.000000\n0.000000 4.169089 11.972793\nNi H Cl O\n4 8 8 16\ndirect\n0.638477 0.763849 0.738534 Ni\n0.861523 0.763849 0.238534 Ni\n0.361523 0.236151 0.261466 Ni\n0.138477 0.236151 0.761466 Ni\n0.436322 0.806889 0.869293 H\n0.063678 0.806889 0.369293 H\n0.563678 0.193111 0.130707 H\n0.936322 0.193111 0.630707 H\n0.437431 0.523731 0.866623 H\n0.062569 0.523731 0.366623 H\n0.562569 0.476269 0.133377 H\n0.937431 0.476269 0.633377 H\n0.848865 0.838521 0.625057 Cl\n0.651135 0.838521 0.125057 Cl\n0.151135 0.161479 0.374943 Cl\n0.348865 0.161479 0.874943 Cl\n0.810647 0.680250 0.955660 Cl\n0.689353 0.680250 0.455660 Cl\n0.189353 0.319750 0.044340 Cl\n0.310647 0.319750 0.544340 Cl\n0.762791 0.874573 0.839546 O\n0.737209 0.874573 0.339546 O\n0.237209 0.125427 0.160454 O\n0.262791 0.125427 0.660454 O\n0.648926 0.474619 0.711769 O\n0.851074 0.474619 0.211769 O\n0.351074 0.525381 0.288231 O\n0.148926 0.525381 0.788231 O\n0.565750 0.019246 0.634358 O\n0.934250 0.019246 0.134358 O\n0.434250 0.980754 0.365642 O\n0.065750 0.980754 0.865642 O\n0.495317 0.670064 0.862743 O\n0.004683 0.670064 0.362743 O\n0.504683 0.329936 0.137257 O\n0.995317 0.329936 0.637257 O\n",
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{
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