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{
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{
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"structure_string": "Ce4 B16\n1.0\n7.173774 0.000000 0.000000\n0.000000 7.173774 0.000000\n0.000000 0.000000 4.074631\nCe B\n4 16\ndirect\n0.186874 0.686874 0.000000 Ce\n0.686874 0.813126 0.000000 Ce\n0.313126 0.186874 0.000000 Ce\n0.813126 0.313126 0.000000 Ce\n0.323861 0.461386 0.500000 B\n0.676139 0.538614 0.500000 B\n0.538614 0.323861 0.500000 B\n0.461386 0.676139 0.500000 B\n0.000000 0.000000 0.201933 B\n0.500000 0.500000 0.798067 B\n0.000000 0.000000 0.798067 B\n0.500000 0.500000 0.201933 B\n0.588005 0.088005 0.500000 B\n0.088005 0.411995 0.500000 B\n0.911995 0.588005 0.500000 B\n0.411995 0.911995 0.500000 B\n0.038614 0.176139 0.500000 B\n0.176139 0.961386 0.500000 B\n0.823861 0.038614 0.500000 B\n0.961386 0.823861 0.500000 B\n",
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{
"id": "mp-1200780",
"created_at": "2022-09-04T14:45:28.353138Z",
"structure_string": "Pr8 Fe56 C4\n1.0\n8.776590 0.000000 0.000000\n0.000000 8.776590 0.000000\n0.000000 0.000000 11.966742\nPr Fe C\n8 56 4\ndirect\n0.239005 0.760995 0.500000 Pr\n0.760995 0.239005 0.500000 Pr\n0.260995 0.260995 0.000000 Pr\n0.739005 0.739005 0.000000 Pr\n0.642489 0.642489 0.500000 Pr\n0.357511 0.357511 0.500000 Pr\n0.857511 0.142489 0.000000 Pr\n0.142489 0.857511 0.000000 Pr\n0.000000 0.500000 0.500000 Fe\n0.500000 0.000000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 0.500000 0.106609 Fe\n0.000000 0.000000 0.606609 Fe\n0.500000 0.500000 0.893391 Fe\n0.000000 0.000000 0.393391 Fe\n0.183071 0.816929 0.254847 Fe\n0.816929 0.183071 0.254847 Fe\n0.316929 0.316929 0.754847 Fe\n0.683071 0.683071 0.754847 Fe\n0.816929 0.183071 0.745153 Fe\n0.183071 0.816929 0.745153 Fe\n0.683071 0.683071 0.245153 Fe\n0.316929 0.316929 0.245153 Fe\n0.401825 0.598175 0.291028 Fe\n0.598175 0.401825 0.291028 Fe\n0.098175 0.098175 0.791028 Fe\n0.901825 0.901825 0.791028 Fe\n0.598175 0.401825 0.708972 Fe\n0.401825 0.598175 0.708972 Fe\n0.901825 0.901825 0.208972 Fe\n0.098175 0.098175 0.208972 Fe\n0.139924 0.536114 0.322528 Fe\n0.860076 0.463886 0.322528 Fe\n0.360076 0.036114 0.822528 Fe\n0.639924 0.963886 0.822528 Fe\n0.860076 0.463886 0.677472 Fe\n0.139924 0.536114 0.677472 Fe\n0.639924 0.963886 0.177472 Fe\n0.360076 0.036114 0.177472 Fe\n0.536114 0.139924 0.322528 Fe\n0.463886 0.860076 0.322528 Fe\n0.036114 0.360076 0.822528 Fe\n0.963886 0.639924 0.822528 Fe\n0.463886 0.860076 0.677472 Fe\n0.536114 0.139924 0.677472 Fe\n0.963886 0.639924 0.177472 Fe\n0.036114 0.360076 0.177472 Fe\n0.933712 0.725462 0.378963 Fe\n0.066288 0.274538 0.378963 Fe\n0.566288 0.225462 0.878963 Fe\n0.433712 0.774538 0.878963 Fe\n0.066288 0.274538 0.621037 Fe\n0.933712 0.725462 0.621037 Fe\n0.433712 0.774538 0.121037 Fe\n0.566288 0.225462 0.121037 Fe\n0.725462 0.933712 0.378963 Fe\n0.274538 0.066288 0.378963 Fe\n0.225462 0.566288 0.878963 Fe\n0.774538 0.433712 0.878963 Fe\n0.274538 0.066288 0.621037 Fe\n0.725462 0.933712 0.621037 Fe\n0.774538 0.433712 0.121037 Fe\n0.225462 0.566288 0.121037 Fe\n0.875035 0.875035 0.500000 C\n0.124965 0.124965 0.500000 C\n0.624965 0.375035 0.000000 C\n0.375035 0.624965 0.000000 C\n",
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{
"id": "mp-559070",
"created_at": "2022-09-04T14:45:40.232750Z",
"structure_string": "Li8 Hg4 P16 O48\n1.0\n10.286574 0.000000 0.000000\n0.000000 9.589651 0.000000\n0.000000 0.273125 9.713358\nLi Hg P O\n8 4 16 48\ndirect\n0.817810 0.891262 0.002359 Li\n0.682055 0.606314 0.500270 Li\n0.317810 0.108738 0.497641 Li\n0.817945 0.606314 0.000270 Li\n0.182190 0.108738 0.997641 Li\n0.182055 0.393686 0.999730 Li\n0.682190 0.891262 0.502359 Li\n0.317945 0.393686 0.499730 Li\n0.806154 0.251582 0.988853 Hg\n0.693846 0.251582 0.488853 Hg\n0.193846 0.748418 0.011147 Hg\n0.306154 0.748418 0.511147 Hg\n0.105194 0.965458 0.292857 P\n0.600026 0.493313 0.203183 P\n0.899974 0.493313 0.703183 P\n0.605194 0.034542 0.207143 P\n0.035904 0.762086 0.729413 P\n0.097683 0.266754 0.700376 P\n0.535904 0.237914 0.770587 P\n0.964096 0.237914 0.270587 P\n0.902317 0.733246 0.299624 P\n0.100026 0.506687 0.296817 P\n0.402317 0.266754 0.200376 P\n0.394806 0.965458 0.792857 P\n0.399974 0.506687 0.796817 P\n0.597683 0.733246 0.799624 P\n0.894806 0.034542 0.707143 P\n0.464096 0.762086 0.229413 P\n0.881619 0.033160 0.860985 O\n0.618381 0.033160 0.360985 O\n0.017476 0.758086 0.884977 O\n0.062644 0.345727 0.336792 O\n0.031826 0.415269 0.656945 O\n0.968174 0.584731 0.343055 O\n0.982524 0.241914 0.115023 O\n0.468174 0.415269 0.156945 O\n0.381935 0.255453 0.353262 O\n0.790938 0.461862 0.605878 O\n0.617078 0.476428 0.356468 O\n0.881935 0.744547 0.146738 O\n0.486640 0.094718 0.838049 O\n0.117078 0.523572 0.143532 O\n0.789477 0.751518 0.395027 O\n0.382922 0.523572 0.643532 O\n0.210523 0.248482 0.604973 O\n0.381619 0.966840 0.639015 O\n0.013360 0.094718 0.338049 O\n0.223312 0.967557 0.384151 O\n0.981037 0.164092 0.652557 O\n0.289477 0.248482 0.104973 O\n0.672377 0.264135 0.817102 O\n0.276688 0.967557 0.884151 O\n0.118381 0.966840 0.139015 O\n0.513360 0.905282 0.161951 O\n0.827623 0.264135 0.317102 O\n0.118065 0.255453 0.853262 O\n0.172377 0.735865 0.682898 O\n0.723312 0.032443 0.115849 O\n0.776688 0.032443 0.615849 O\n0.290938 0.538138 0.894122 O\n0.710523 0.751518 0.895027 O\n0.937356 0.654273 0.663208 O\n0.018963 0.835908 0.347443 O\n0.531826 0.584731 0.843055 O\n0.618065 0.744547 0.646738 O\n0.709062 0.461862 0.105878 O\n0.562644 0.654273 0.163208 O\n0.481037 0.835908 0.847443 O\n0.517476 0.241914 0.615023 O\n0.518963 0.164092 0.152557 O\n0.209062 0.538138 0.394122 O\n0.882922 0.476428 0.856468 O\n0.482524 0.758086 0.384977 O\n0.437356 0.345727 0.836792 O\n0.986640 0.905282 0.661951 O\n0.327623 0.735865 0.182898 O\n",
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{
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{
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"structure_string": "S24 N24 Cl24 O16\n1.0\n7.677302 0.000000 0.000000\n0.000000 10.786733 0.000000\n0.000000 10.185576 23.108538\nS N Cl O\n24 24 24 16\ndirect\n0.707292 0.983523 0.439864 S\n0.792708 0.983523 0.939864 S\n0.292708 0.016477 0.560136 S\n0.207292 0.016477 0.060136 S\n0.977019 0.485564 0.311085 S\n0.522981 0.485564 0.811085 S\n0.022981 0.514436 0.688915 S\n0.477019 0.514436 0.188915 S\n0.472351 0.182404 0.371462 S\n0.027649 0.182404 0.871462 S\n0.527649 0.817596 0.628538 S\n0.972351 0.817596 0.128538 S\n0.747851 0.106098 0.319111 S\n0.752149 0.106098 0.819111 S\n0.252149 0.893902 0.680889 S\n0.247851 0.893902 0.180889 S\n0.174451 0.574834 0.382284 S\n0.325549 0.574834 0.882284 S\n0.825549 0.425166 0.617716 S\n0.674451 0.425166 0.117716 S\n0.953900 0.352917 0.431610 S\n0.546100 0.352917 0.931610 S\n0.046100 0.647083 0.568390 S\n0.453900 0.647083 0.068390 S\n0.558905 0.095527 0.432119 N\n0.941095 0.095527 0.932119 N\n0.441095 0.904473 0.567881 N\n0.058905 0.904473 0.067881 N\n0.598352 0.208230 0.318391 N\n0.901648 0.208230 0.818391 N\n0.401648 0.791770 0.681609 N\n0.098352 0.791770 0.181609 N\n0.821907 0.020036 0.381794 N\n0.678093 0.020036 0.881794 N\n0.178093 0.979964 0.618206 N\n0.321907 0.979964 0.118206 N\n0.926063 0.355366 0.369121 N\n0.573937 0.355366 0.869121 N\n0.073937 0.644634 0.630879 N\n0.426063 0.644634 0.130879 N\n0.113133 0.442177 0.435395 N\n0.386867 0.442177 0.935395 N\n0.886867 0.557823 0.564605 N\n0.613133 0.557823 0.064605 N\n0.133974 0.572048 0.321430 N\n0.366026 0.572048 0.821430 N\n0.866026 0.427952 0.678570 N\n0.633974 0.427952 0.178570 N\n0.570985 0.804717 0.448140 Cl\n0.929015 0.804717 0.948140 Cl\n0.429015 0.195283 0.551860 Cl\n0.070985 0.195283 0.051860 Cl\n0.267156 0.070364 0.363203 Cl\n0.232844 0.070364 0.863203 Cl\n0.732844 0.929636 0.636797 Cl\n0.767156 0.929636 0.136797 Cl\n0.635652 0.972498 0.290022 Cl\n0.864348 0.972498 0.790022 Cl\n0.364348 0.027502 0.709978 Cl\n0.135652 0.027502 0.209978 Cl\n0.735338 0.437524 0.449274 Cl\n0.764662 0.437524 0.949274 Cl\n0.264662 0.562476 0.550726 Cl\n0.235338 0.562476 0.050726 Cl\n0.031409 0.732793 0.385599 Cl\n0.468591 0.732793 0.885599 Cl\n0.968591 0.267207 0.614401 Cl\n0.531409 0.267207 0.114401 Cl\n0.752049 0.615303 0.293055 Cl\n0.747951 0.615303 0.793055 Cl\n0.247951 0.384697 0.706945 Cl\n0.252049 0.384697 0.206945 Cl\n0.400228 0.306428 0.369158 O\n0.099772 0.306428 0.869158 O\n0.599772 0.693572 0.630842 O\n0.900228 0.693572 0.130842 O\n0.882816 0.173074 0.278781 O\n0.617184 0.173074 0.778781 O\n0.117184 0.826926 0.721219 O\n0.382816 0.826926 0.221219 O\n0.352407 0.605952 0.388261 O\n0.147593 0.605952 0.888261 O\n0.647593 0.394048 0.611739 O\n0.852407 0.394048 0.111739 O\n0.965065 0.217406 0.475080 O\n0.534935 0.217406 0.975080 O\n0.034935 0.782594 0.524920 O\n0.465065 0.782594 0.024920 O\n",
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{
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