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{
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{
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{
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"structure_string": "Er1 H9 C5 N2 O8\n1.0\n3.587387 5.633105 0.000000\n-3.587387 5.633105 0.000000\n0.000000 2.173352 6.255915\nEr H C N O\n1 9 5 2 8\ndirect\n0.000913 0.999087 0.000000 Er\n0.814840 0.653907 0.420847 H\n0.346093 0.185160 0.579153 H\n0.519909 0.738374 0.519957 H\n0.261626 0.480091 0.480043 H\n0.165977 0.460901 0.872564 H\n0.539099 0.834023 0.127436 H\n0.912372 0.087628 0.500000 H\n0.548429 0.457229 0.799125 H\n0.542771 0.451571 0.200875 H\n0.060600 0.467638 0.035066 C\n0.532362 0.939400 0.964934 C\n0.065876 0.934124 0.500000 C\n0.707892 0.466533 0.700081 C\n0.533467 0.292108 0.299919 C\n0.681623 0.634923 0.535827 N\n0.365077 0.318377 0.464174 N\n0.991700 0.310445 0.126009 O\n0.689555 0.008300 0.873991 O\n0.019499 0.636997 0.115431 O\n0.363003 0.980501 0.884569 O\n0.155352 0.857914 0.666148 O\n0.142086 0.844648 0.333852 O\n0.894811 0.325534 0.744077 O\n0.674466 0.105189 0.255923 O\n",
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{
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"structure_string": "Ba1 W6 O18\n1.0\n3.733463 -6.466548 0.000000\n3.733463 6.466548 0.000000\n0.000000 0.000000 7.691895\nBa W O\n1 6 18\ndirect\n0.000000 0.000000 0.565928 Ba\n0.000000 0.504321 0.751634 W\n0.000000 0.492394 0.250095 W\n0.495679 0.495679 0.751634 W\n0.507606 0.507606 0.250095 W\n0.492394 0.000000 0.250095 W\n0.504321 0.000000 0.751634 W\n0.000000 0.498670 0.999069 O\n0.000000 0.498774 0.501086 O\n0.210523 0.786793 0.253272 O\n0.209530 0.791114 0.745965 O\n0.208886 0.418416 0.745965 O\n0.213207 0.423730 0.253272 O\n0.576270 0.789477 0.253272 O\n0.581584 0.790470 0.745965 O\n0.501330 0.501330 0.999069 O\n0.501226 0.501226 0.501086 O\n0.423730 0.213207 0.253272 O\n0.418416 0.208886 0.745965 O\n0.498774 0.000000 0.501086 O\n0.790470 0.581584 0.745965 O\n0.789477 0.576270 0.253272 O\n0.498670 0.000000 0.999069 O\n0.786793 0.210523 0.253272 O\n0.791114 0.209530 0.745965 O\n",
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{
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"created_at": "2022-09-04T14:39:29.636439Z",
"structure_string": "Ca4 Cr2 N6\n1.0\n3.995555 -5.328776 0.000000\n3.995555 5.328776 0.000000\n0.000000 0.000000 4.946906\nCa Cr N\n4 2 6\ndirect\n0.886224 0.113776 0.000000 Ca\n0.397794 0.194141 0.000000 Ca\n0.100085 0.899915 0.500000 Ca\n0.805859 0.602206 0.000000 Ca\n0.299616 0.700384 0.000000 Cr\n0.714661 0.285339 0.500000 Cr\n0.193849 0.441120 0.000000 N\n0.875670 0.124330 0.500000 N\n0.129127 0.870873 0.000000 N\n0.448438 0.175280 0.500000 N\n0.824720 0.551562 0.500000 N\n0.558880 0.806151 0.000000 N\n",
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{
"id": "mp-1194681",
"created_at": "2022-09-04T14:39:29.635121Z",
"structure_string": "Mg4 H32 C16 N8 O24\n1.0\n8.600245 0.000000 0.000000\n0.000000 8.769983 0.000000\n0.000000 0.069502 12.602749\nMg H C N O\n4 32 16 8 24\ndirect\n0.000000 0.000000 0.500000 Mg\n0.500000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.000000 0.500000 0.000000 Mg\n0.141977 0.005058 0.137439 H\n0.641977 0.994942 0.362561 H\n0.858023 0.994942 0.862561 H\n0.358023 0.005058 0.637439 H\n0.448647 0.292474 0.165432 H\n0.948647 0.707526 0.334568 H\n0.551353 0.707526 0.834568 H\n0.051353 0.292474 0.665432 H\n0.522843 0.279157 0.297842 H\n0.022843 0.720843 0.202158 H\n0.477157 0.720843 0.702158 H\n0.977157 0.279157 0.797842 H\n0.028352 0.170063 0.119864 H\n0.528352 0.829937 0.380136 H\n0.971648 0.829937 0.880136 H\n0.471648 0.170063 0.619864 H\n0.201909 0.700576 0.454761 H\n0.701909 0.299424 0.045239 H\n0.798091 0.299424 0.545239 H\n0.298091 0.700576 0.954761 H\n0.370217 0.539956 0.188827 H\n0.870217 0.460044 0.311173 H\n0.629783 0.460044 0.811173 H\n0.129783 0.539956 0.688827 H\n0.280620 0.214106 0.420890 H\n0.780620 0.785894 0.079110 H\n0.719380 0.785894 0.579110 H\n0.219380 0.214106 0.920890 H\n0.939817 0.180283 0.287737 H\n0.439817 0.819717 0.212263 H\n0.060183 0.819717 0.712263 H\n0.560183 0.180283 0.787737 H\n0.270041 0.766823 0.513245 C\n0.770041 0.233177 0.986755 C\n0.729959 0.233177 0.486755 C\n0.229959 0.766823 0.013245 C\n0.224822 0.272328 0.489186 C\n0.724822 0.727672 0.010814 C\n0.775178 0.727672 0.510814 C\n0.275178 0.272328 0.989186 C\n0.020664 0.086666 0.268653 C\n0.520664 0.913334 0.231347 C\n0.979336 0.913334 0.731347 C\n0.479336 0.086666 0.768653 C\n0.426023 0.482512 0.257089 C\n0.926023 0.517488 0.242911 C\n0.573977 0.517488 0.742911 C\n0.073977 0.482512 0.757089 C\n0.065591 0.084195 0.168113 N\n0.565591 0.915805 0.331887 N\n0.934409 0.915805 0.831887 N\n0.434409 0.084195 0.668113 N\n0.469673 0.340304 0.238579 N\n0.969673 0.659696 0.261421 N\n0.530327 0.659696 0.761421 N\n0.030327 0.340304 0.738579 N\n0.213279 0.892182 0.545329 O\n0.713279 0.107818 0.954671 O\n0.786721 0.107818 0.454671 O\n0.286721 0.892182 0.045329 O\n0.101073 0.212571 0.526355 O\n0.601073 0.787429 0.973645 O\n0.898927 0.787429 0.473645 O\n0.398927 0.212571 0.026355 O\n0.062489 0.992460 0.338589 O\n0.562489 0.007540 0.161411 O\n0.937511 0.007540 0.661411 O\n0.437511 0.992460 0.838589 O\n0.288168 0.390945 0.525063 O\n0.788168 0.609055 0.974937 O\n0.711832 0.609055 0.474937 O\n0.211832 0.390945 0.025063 O\n0.399476 0.712139 0.543849 O\n0.899476 0.287861 0.956151 O\n0.600524 0.287861 0.456151 O\n0.100524 0.712139 0.043849 O\n0.442547 0.552601 0.343132 O\n0.942547 0.447399 0.156868 O\n0.557453 0.447399 0.656868 O\n0.057453 0.552601 0.843132 O\n",
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{
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"structure_string": "Na2 Cu1 Sb1 Cl6\n1.0\n0.000000 5.123546 5.123546\n5.123546 0.000000 5.123546\n5.123546 5.123546 0.000000\nNa Cu Sb Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Sb\n0.740997 0.259003 0.259003 Cl\n0.259003 0.259003 0.740997 Cl\n0.259003 0.740997 0.740997 Cl\n0.259003 0.740997 0.259003 Cl\n0.740997 0.259003 0.740997 Cl\n0.740997 0.740997 0.259003 Cl\n",
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{
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"structure_string": "Li12 V6 P16 O58\n1.0\n9.803964 0.000000 0.000000\n4.891813 8.524858 0.000000\n0.069442 0.033276 13.899604\nLi V P O\n12 6 16 58\ndirect\n0.904817 0.767166 0.059075 Li\n0.771842 0.911929 0.561727 Li\n0.904940 0.321975 0.559475 Li\n0.665885 0.666288 0.882720 Li\n0.767810 0.326097 0.059942 Li\n0.327359 0.905148 0.059001 Li\n0.323591 0.771383 0.561200 Li\n0.339128 0.331866 0.616927 Li\n0.336573 0.332499 0.113678 Li\n0.088718 0.685163 0.439807 Li\n0.225341 0.091043 0.440012 Li\n0.997794 0.001491 0.991184 Li\n0.566984 0.431893 0.252812 V\n0.434406 0.563015 0.752991 V\n0.566050 0.002663 0.753334 V\n0.433883 0.998102 0.250725 V\n0.997536 0.568458 0.250652 V\n0.001308 0.432522 0.753465 V\n0.909806 0.774381 0.843867 P\n0.767862 0.915280 0.343944 P\n0.913300 0.316320 0.343064 P\n0.664364 0.666586 0.125945 P\n0.667112 0.667868 0.627546 P\n0.773826 0.314316 0.844775 P\n0.684258 0.229458 0.657294 P\n0.315739 0.908811 0.843812 P\n0.689029 0.087021 0.156664 P\n0.319868 0.766459 0.343165 P\n0.226227 0.686775 0.157759 P\n0.330692 0.334994 0.373368 P\n0.332753 0.332686 0.873265 P\n0.089800 0.680248 0.657713 P\n0.230138 0.089647 0.657925 P\n0.088804 0.225332 0.157499 P\n0.996148 0.758159 0.568618 O\n0.915145 0.748411 0.339211 O\n0.787291 0.990645 0.073766 O\n0.744764 0.917245 0.838072 O\n0.893044 0.625324 0.830717 O\n0.810825 0.672983 0.163927 O\n0.908513 0.475086 0.320663 O\n0.996379 0.219483 0.074093 O\n0.917199 0.337391 0.837712 O\n0.662094 0.819542 0.670166 O\n0.616784 0.905117 0.319894 O\n0.818862 0.520936 0.670036 O\n0.665529 0.663069 0.017443 O\n0.667796 0.668796 0.520409 O\n0.668438 0.513831 0.166211 O\n0.481316 0.893392 0.830537 O\n0.510884 0.812482 0.163559 O\n0.748483 0.340626 0.340003 O\n0.782668 0.209003 0.754919 O\n0.770103 0.242028 0.572833 O\n0.774730 0.232630 0.936290 O\n0.625128 0.480618 0.831316 O\n0.519655 0.662572 0.669716 O\n0.667030 0.253598 0.156933 O\n0.481429 0.622372 0.324340 O\n0.331056 0.918386 0.341275 O\n0.787402 0.007058 0.254540 O\n0.754474 0.994222 0.436493 O\n0.245910 0.996181 0.568623 O\n0.665787 0.082100 0.657048 O\n0.516343 0.374482 0.671386 O\n0.338307 0.743525 0.837429 O\n0.477647 0.335855 0.326560 O\n0.374546 0.522885 0.167243 O\n0.219049 0.786291 0.074117 O\n0.244448 0.753791 0.434888 O\n0.205599 0.785553 0.254987 O\n0.253469 0.666142 0.656068 O\n0.477392 0.182820 0.829500 O\n0.523424 0.104216 0.168888 O\n0.339665 0.476546 0.829176 O\n0.332697 0.332477 0.980282 O\n0.330965 0.336124 0.481266 O\n0.183327 0.488962 0.335331 O\n0.374944 0.111304 0.671760 O\n0.327249 0.186557 0.335334 O\n0.081448 0.660627 0.159649 O\n0.002805 0.785473 0.750380 O\n0.993586 0.773972 0.933762 O\n0.111710 0.514162 0.672230 O\n0.182503 0.338903 0.829508 O\n0.106798 0.372153 0.168659 O\n0.258887 0.080565 0.159587 O\n0.231412 0.992215 0.933974 O\n0.212001 0.002022 0.750688 O\n0.080833 0.252744 0.656409 O\n0.003488 0.246302 0.434232 O\n0.009938 0.203807 0.254754 O\n",
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