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{
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{
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"structure_string": "B8 Se12 O40\n1.0\n4.477677 0.000000 0.000000\n0.000000 8.156342 0.000000\n-2.004026 0.000000 22.441038\nB Se O\n8 12 40\ndirect\n0.537276 0.696885 0.798401 B\n0.462724 0.196885 0.701599 B\n0.462724 0.303115 0.201599 B\n0.537276 0.803115 0.298401 B\n0.668266 0.075621 0.933046 B\n0.331734 0.575621 0.566954 B\n0.331734 0.924379 0.066954 B\n0.668266 0.424379 0.433046 B\n0.077994 0.534980 0.856307 Se\n0.922006 0.034980 0.643693 Se\n0.922006 0.465020 0.143693 Se\n0.077994 0.965020 0.356307 Se\n0.478227 0.040996 0.812452 Se\n0.521773 0.540996 0.687548 Se\n0.521773 0.959004 0.187548 Se\n0.478227 0.459004 0.312452 Se\n0.791908 0.780575 0.004711 Se\n0.208092 0.280575 0.495289 Se\n0.208092 0.219425 0.995289 Se\n0.791908 0.719425 0.504711 Se\n0.227480 0.361980 0.839333 O\n0.772520 0.861980 0.660667 O\n0.772520 0.638020 0.160667 O\n0.227480 0.138020 0.339333 O\n0.975807 0.554568 0.923848 O\n0.024193 0.054568 0.576152 O\n0.024193 0.445432 0.076152 O\n0.975807 0.945432 0.423848 O\n0.327201 0.697515 0.846285 O\n0.672799 0.197515 0.653715 O\n0.672799 0.302485 0.153715 O\n0.327201 0.802485 0.346285 O\n0.773972 0.567308 0.802879 O\n0.226028 0.067308 0.697121 O\n0.226028 0.432692 0.197121 O\n0.773972 0.932692 0.302879 O\n0.638577 0.160756 0.759636 O\n0.361423 0.660756 0.740364 O\n0.361423 0.839244 0.240364 O\n0.638577 0.339244 0.259636 O\n0.718906 0.117570 0.870832 O\n0.281094 0.617570 0.629168 O\n0.281094 0.882430 0.129168 O\n0.718906 0.382430 0.370832 O\n0.679700 0.859330 0.800792 O\n0.320300 0.359330 0.699208 O\n0.320300 0.140670 0.199208 O\n0.679700 0.640670 0.300792 O\n0.173318 0.802882 0.026830 O\n0.826682 0.302882 0.473170 O\n0.826682 0.197118 0.973170 O\n0.173318 0.697118 0.526830 O\n0.764058 0.902456 0.941241 O\n0.235942 0.402456 0.558759 O\n0.235942 0.097544 0.058759 O\n0.764058 0.597544 0.441241 O\n0.656250 0.912207 0.057664 O\n0.343750 0.412207 0.442336 O\n0.343750 0.087793 0.942336 O\n0.656250 0.587793 0.557664 O\n",
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{
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{
"id": "mp-1093819",
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"structure_string": "Li1 Sc1 Cd2\n1.0\n-5.902189 6.108814 8.829955\n5.902189 -6.108814 8.829955\n5.902189 6.108814 -8.829955\nLi Sc Cd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Sc\n0.000000 0.237462 0.237462 Cd\n0.000000 0.762538 0.762538 Cd\n",
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{
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{
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"structure_string": "Na4 Li16 H40 N20\n1.0\n6.732284 0.000000 0.000000\n0.892483 9.843305 0.000000\n1.947546 1.155807 11.219649\nNa Li H N\n4 16 40 20\ndirect\n0.849733 0.649992 0.949658 Na\n0.049812 0.450084 0.350206 Na\n0.250123 0.249776 0.749861 Na\n0.450012 0.049867 0.150281 Na\n0.911936 0.105176 0.797975 Li\n0.320797 0.708204 0.598081 Li\n0.711766 0.304589 0.397902 Li\n0.111767 0.905334 0.198634 Li\n0.512020 0.504985 0.997940 Li\n0.588323 0.394577 0.701759 Li\n0.980074 0.991573 0.502939 Li\n0.389000 0.594609 0.301790 Li\n0.788260 0.194550 0.101601 Li\n0.187444 0.796054 0.901532 Li\n0.403247 0.601794 0.798012 Li\n0.798337 0.196723 0.600244 Li\n0.198131 0.801559 0.402115 Li\n0.600216 0.399707 0.199743 Li\n0.999628 0.000228 0.000004 Li\n0.650804 0.850449 0.550045 Li\n0.787989 0.435420 0.825939 H\n0.187427 0.035710 0.625336 H\n0.588695 0.640533 0.428379 H\n0.987917 0.235197 0.225802 H\n0.388730 0.835522 0.026120 H\n0.924876 0.298533 0.929265 H\n0.332561 0.898661 0.726224 H\n0.725082 0.497287 0.528875 H\n0.124087 0.098127 0.330282 H\n0.525239 0.698859 0.129024 H\n0.394788 0.381148 0.454360 H\n0.794492 0.981103 0.253822 H\n0.196267 0.582450 0.052774 H\n0.595123 0.181183 0.854089 H\n0.989042 0.781211 0.651543 H\n0.291790 0.485262 0.590788 H\n0.688932 0.079776 0.394089 H\n0.093694 0.684768 0.191365 H\n0.492163 0.284660 0.990900 H\n0.891188 0.884514 0.790738 H\n0.357714 0.988049 0.963524 H\n0.561246 0.793211 0.365355 H\n0.756032 0.587969 0.763319 H\n0.956467 0.387866 0.163978 H\n0.156358 0.188066 0.563474 H\n0.535471 0.820831 0.763793 H\n0.726483 0.619474 0.167265 H\n0.925020 0.417009 0.567234 H\n0.126069 0.219138 0.967364 H\n0.325218 0.018295 0.368188 H\n0.561534 0.094600 0.749639 H\n0.760420 0.894658 0.149791 H\n0.950511 0.692909 0.549626 H\n0.161620 0.495805 0.948903 H\n0.359967 0.295037 0.350062 H\n0.757704 0.898417 0.919193 H\n0.959259 0.699436 0.319804 H\n0.156120 0.498362 0.718895 H\n0.356451 0.298144 0.119004 H\n0.550313 0.092809 0.521596 H\n0.684687 0.518413 0.827132 N\n0.083788 0.118566 0.626778 N\n0.493565 0.727888 0.433776 N\n0.884316 0.318049 0.227168 N\n0.284288 0.917850 0.025755 N\n0.999470 0.203248 0.932837 N\n0.416745 0.806725 0.722065 N\n0.798776 0.401605 0.532146 N\n0.199935 0.003258 0.332024 N\n0.598868 0.603297 0.133868 N\n0.412601 0.385872 0.363162 N\n0.811444 0.986095 0.162617 N\n0.211763 0.587600 0.961563 N\n0.610382 0.186554 0.762965 N\n0.986255 0.788556 0.561461 N\n0.304654 0.493600 0.677698 N\n0.698532 0.077320 0.483023 N\n0.107552 0.691365 0.278462 N\n0.505004 0.292351 0.077928 N\n0.905887 0.891949 0.877529 N\n",
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{
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