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{
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{
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{
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"structure_string": "Fe24 O32\n1.0\n6.106033 -0.001078 -0.005806\n-0.001046 6.106173 -0.000199\n-0.015693 -0.000140 17.060455\nFe O\n24 32\ndirect\n0.498821 0.750533 0.369064 Fe\n0.499175 0.244500 0.868411 Fe\n0.002123 0.250595 0.121545 Fe\n0.000252 0.755755 0.624122 Fe\n0.002552 0.753190 0.121807 Fe\n0.000191 0.250654 0.622369 Fe\n0.995585 0.495591 0.309175 Fe\n0.000308 0.497705 0.810494 Fe\n0.244299 0.499454 0.998368 Fe\n0.750780 0.500234 0.495912 Fe\n0.753984 0.499259 0.996970 Fe\n0.248911 0.500151 0.495333 Fe\n0.499427 0.000893 0.055794 Fe\n0.499735 0.996115 0.556617 Fe\n0.503750 0.502025 0.182719 Fe\n0.499943 0.505403 0.682146 Fe\n0.998941 0.002981 0.432481 Fe\n0.000712 0.998814 0.933388 Fe\n0.251427 0.998731 0.244568 Fe\n0.749614 0.001977 0.744879 Fe\n0.754184 0.996751 0.242398 Fe\n0.250185 0.001289 0.744483 Fe\n0.498952 0.246691 0.368529 Fe\n0.499789 0.753110 0.870242 Fe\n0.988260 0.760337 0.248420 O\n0.999830 0.242216 0.746124 O\n0.510709 0.241748 0.250960 O\n0.500535 0.757420 0.749027 O\n0.992413 0.233172 0.247206 O\n0.000365 0.747353 0.741578 O\n0.249701 0.500006 0.117902 O\n0.761171 0.510566 0.614925 O\n0.756201 0.501489 0.116711 O\n0.238701 0.510409 0.614503 O\n0.244109 0.000501 0.118720 O\n0.763101 0.990287 0.617399 O\n0.749295 0.002241 0.124510 O\n0.238075 0.990003 0.617714 O\n0.500395 0.729866 0.991619 O\n0.500341 0.269873 0.492787 O\n0.999390 0.718389 0.996583 O\n0.999788 0.270961 0.495782 O\n0.500093 0.270020 0.991189 O\n0.500088 0.727167 0.494112 O\n0.999097 0.280220 0.996476 O\n0.000041 0.730185 0.497095 O\n0.260134 0.488942 0.374884 O\n0.730707 0.500067 0.874319 O\n0.737692 0.489091 0.376665 O\n0.269032 0.499759 0.874783 O\n0.263692 0.010216 0.373685 O\n0.718330 0.999360 0.869894 O\n0.737247 0.009618 0.368677 O\n0.280721 0.998645 0.869380 O\n0.507803 0.764839 0.246928 O\n0.499287 0.252608 0.747613 O\n",
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{
"id": "mp-625365",
"created_at": "2022-09-04T14:48:06.730116Z",
"structure_string": "H12 N8 O18\n1.0\n13.719436 0.000000 0.000000\n0.000000 4.538504 0.000000\n0.000000 0.399604 6.932063\nH N O\n12 8 18\ndirect\n0.958544 0.653229 0.177417 H\n0.458544 0.346771 0.822583 H\n0.020890 0.190673 0.498500 H\n0.927515 0.562366 0.632537 H\n0.427515 0.437634 0.367463 H\n0.520890 0.809327 0.501500 H\n0.555872 0.913144 0.121193 H\n0.055872 0.086856 0.878807 H\n0.135275 0.096255 0.306026 H\n0.862471 0.229551 0.083409 H\n0.362471 0.770449 0.916591 H\n0.635275 0.903745 0.693974 H\n0.489035 0.835429 0.072463 N\n0.989035 0.164571 0.927537 N\n0.979094 0.807968 0.420548 N\n0.479094 0.192032 0.579452 N\n0.271681 0.127435 0.242111 N\n0.744077 0.369253 0.208771 N\n0.244077 0.630747 0.791229 N\n0.771681 0.872565 0.757889 N\n0.017658 0.710604 0.246249 O\n0.517658 0.289396 0.753751 O\n0.055016 0.999395 0.479087 O\n0.987288 0.549455 0.554984 O\n0.487288 0.450545 0.445016 O\n0.555016 0.000605 0.520913 O\n0.286063 0.901471 0.342216 O\n0.717697 0.547523 0.321608 O\n0.217697 0.452477 0.678392 O\n0.786063 0.098529 0.657784 O\n0.333568 0.287301 0.158638 O\n0.696505 0.214816 0.105355 O\n0.196505 0.785184 0.894645 O\n0.833568 0.712699 0.841362 O\n0.177750 0.223642 0.213610 O\n0.847603 0.338257 0.200123 O\n0.347603 0.661743 0.799877 O\n0.677750 0.776358 0.786390 O\n",
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{
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"structure_string": "Co5 Sb1 O8\n1.0\n5.367956 -3.006188 0.000000\n5.367956 3.006188 0.000000\n3.684417 0.000000 4.927188\nCo Sb O\n5 1 8\ndirect\n0.634030 0.634030 0.634030 Co\n0.000000 0.000000 0.500000 Co\n0.000000 0.500000 0.000000 Co\n0.500000 0.000000 0.000000 Co\n0.365970 0.365970 0.365970 Co\n0.000000 0.000000 0.000000 Sb\n0.765382 0.765382 0.226546 O\n0.226546 0.765382 0.765382 O\n0.765382 0.226546 0.765382 O\n0.765028 0.765028 0.765028 O\n0.234972 0.234972 0.234972 O\n0.773454 0.234618 0.234618 O\n0.234618 0.773454 0.234618 O\n0.234618 0.234618 0.773454 O\n",
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{
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"structure_string": "Li4 Mn8 P12 O48\n1.0\n8.492028 0.000000 0.000000\n0.000000 8.225922 0.000000\n0.000000 0.007589 11.707365\nLi Mn P O\n4 8 12 48\ndirect\n0.960539 0.317840 0.679961 Li\n0.648401 0.426605 0.196584 Li\n0.039461 0.817840 0.179961 Li\n0.351599 0.926605 0.696584 Li\n0.220940 0.253575 0.112868 Mn\n0.722729 0.244949 0.391609 Mn\n0.283460 0.253759 0.614216 Mn\n0.776726 0.248381 0.885106 Mn\n0.716540 0.753759 0.114216 Mn\n0.223274 0.748381 0.385106 Mn\n0.779060 0.753575 0.612868 Mn\n0.277271 0.744949 0.891609 Mn\n0.502740 0.964507 0.489403 P\n0.637034 0.890090 0.852035 P\n0.366845 0.890208 0.143479 P\n0.133862 0.611332 0.645423 P\n0.861709 0.613599 0.357792 P\n0.999427 0.532036 0.006782 P\n0.497260 0.464507 0.989403 P\n0.633155 0.390208 0.643479 P\n0.000573 0.032036 0.506782 P\n0.866138 0.111332 0.145423 P\n0.362966 0.390090 0.352035 P\n0.138291 0.113599 0.857792 P\n0.694256 0.273573 0.548010 O\n0.923081 0.934235 0.605437 O\n0.126829 0.937878 0.441074 O\n0.830929 0.931100 0.179050 O\n0.612460 0.901845 0.585440 O\n0.532713 0.837202 0.181164 O\n0.678073 0.857082 0.977645 O\n0.248962 0.863548 0.243311 O\n0.364594 0.069734 0.107617 O\n0.578713 0.066152 0.393818 O\n0.376819 0.059157 0.560369 O\n0.676991 0.067489 0.820106 O\n0.884486 0.095759 0.415206 O\n0.048094 0.117485 0.157601 O\n0.817665 0.140305 0.021263 O\n0.250128 0.129041 0.752708 O\n0.973109 0.171449 0.817011 O\n0.075783 0.183974 0.564708 O\n0.771079 0.227779 0.223589 O\n0.194044 0.228167 0.953763 O\n0.269381 0.274442 0.273723 O\n0.137183 0.932720 0.893396 O\n0.576957 0.315690 0.934649 O\n0.467287 0.337202 0.681164 O\n0.321927 0.357082 0.477645 O\n0.546042 0.375629 0.338035 O\n0.751038 0.363548 0.743311 O\n0.387540 0.401845 0.085440 O\n0.076919 0.434235 0.105437 O\n0.862817 0.432720 0.393396 O\n0.169071 0.431100 0.679050 O\n0.873171 0.437878 0.941074 O\n0.623181 0.559157 0.060369 O\n0.323009 0.567489 0.320106 O\n0.635406 0.569734 0.607617 O\n0.421287 0.566152 0.893818 O\n0.115514 0.595759 0.915206 O\n0.749872 0.629041 0.252708 O\n0.951906 0.617485 0.657601 O\n0.182335 0.640305 0.521263 O\n0.026891 0.671449 0.317011 O\n0.924217 0.683974 0.064708 O\n0.805956 0.728167 0.453763 O\n0.228921 0.727779 0.723589 O\n0.305744 0.773573 0.048010 O\n0.730619 0.774442 0.773723 O\n0.423043 0.815690 0.434649 O\n0.453958 0.875629 0.838035 O\n",
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{
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"structure_string": "Ca2 Al4 Si4 H2 O18\n1.0\n2.914255 -4.485957 0.000000\n2.914255 4.485957 0.000000\n0.000000 0.000000 13.032583\nCa Al Si H O\n2 4 4 2 18\ndirect\n0.673731 0.326269 0.750000 Ca\n0.326269 0.673731 0.250000 Ca\n0.000000 0.500000 0.500000 Al\n0.000000 0.500000 0.000000 Al\n0.500000 0.000000 0.000000 Al\n0.500000 0.000000 0.500000 Al\n0.979182 0.020818 0.130985 Si\n0.020818 0.979182 0.869015 Si\n0.020818 0.979182 0.630985 Si\n0.979182 0.020818 0.369015 Si\n0.331434 0.668566 0.750000 H\n0.668566 0.331434 0.250000 H\n0.890630 0.646345 0.616326 O\n0.109370 0.353655 0.383674 O\n0.109370 0.353655 0.116326 O\n0.353655 0.109370 0.883674 O\n0.890630 0.646345 0.883674 O\n0.646345 0.890630 0.116326 O\n0.646345 0.890630 0.383674 O\n0.353655 0.109370 0.616326 O\n0.349840 0.650160 0.559272 O\n0.650160 0.349840 0.440728 O\n0.650160 0.349840 0.059272 O\n0.349840 0.650160 0.940728 O\n0.952136 0.047864 0.750000 O\n0.047864 0.952136 0.250000 O\n0.863283 0.136717 0.565826 O\n0.136717 0.863283 0.434174 O\n0.136717 0.863283 0.065826 O\n0.863283 0.136717 0.934174 O\n",
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{
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