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{
"id": "oqmd-45530",
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"structure_string": "Ir4 S12 Cl44\n1.0\n8.118801 0.000000 -0.004344\n0.000000 13.369470 0.000000\n-4.060149 0.000000 14.631323\nCl Ir S\n44 4 12\ndirect\n0.354495 0.754331 0.037745 Cl\n0.681725 0.557567 0.058417 Cl\n0.372584 0.211078 0.072235 Cl\n0.647005 0.914951 0.104440 Cl\n0.175181 0.986294 0.105664 Cl\n0.966958 0.736845 0.117996 Cl\n0.055329 0.367163 0.130498 Cl\n0.890235 0.140379 0.170941 Cl\n0.326191 0.544850 0.184372 Cl\n0.658968 0.373039 0.210811 Cl\n0.684377 0.683830 0.241465 Cl\n0.315622 0.183829 0.258535 Cl\n0.341032 0.873039 0.289189 Cl\n0.673808 0.044850 0.315627 Cl\n0.109765 0.640379 0.329060 Cl\n0.944671 0.867163 0.369502 Cl\n0.033041 0.236845 0.382003 Cl\n0.824817 0.486294 0.394335 Cl\n0.352994 0.414951 0.395560 Cl\n0.627415 0.711078 0.427765 Cl\n0.318275 0.057567 0.441582 Cl\n0.645507 0.254330 0.462254 Cl\n0.354495 0.745670 0.537746 Cl\n0.681726 0.942434 0.558418 Cl\n0.372585 0.288922 0.572236 Cl\n0.647005 0.585050 0.604440 Cl\n0.175181 0.513706 0.605665 Cl\n0.966958 0.763155 0.617995 Cl\n0.055329 0.132838 0.630498 Cl\n0.890234 0.359621 0.670940 Cl\n0.326190 0.955149 0.684373 Cl\n0.658969 0.126961 0.710811 Cl\n0.684378 0.816171 0.741466 Cl\n0.315622 0.316171 0.758534 Cl\n0.341032 0.626961 0.789188 Cl\n0.673809 0.455149 0.815628 Cl\n0.109766 0.859620 0.829060 Cl\n0.944670 0.632838 0.869503 Cl\n0.033041 0.263156 0.882004 Cl\n0.824820 0.013707 0.894336 Cl\n0.352995 0.085050 0.895560 Cl\n0.627416 0.788922 0.927765 Cl\n0.318276 0.442433 0.941583 Cl\n0.645505 0.245670 0.962254 Cl\n0.898730 0.591182 0.196169 Ir\n0.101270 0.091182 0.303831 Ir\n0.898730 0.908818 0.696170 Ir\n0.101270 0.408818 0.803831 Ir\n0.614147 0.767916 0.059695 S\n0.073722 0.519991 0.121217 S\n0.124124 0.952173 0.227781 S\n0.875877 0.452173 0.272219 S\n0.926278 0.019993 0.378783 S\n0.385853 0.267916 0.440305 S\n0.614147 0.732083 0.559695 S\n0.073722 0.980007 0.621217 S\n0.124123 0.547827 0.727781 S\n0.875878 0.047826 0.772220 S\n0.926278 0.480007 0.878783 S\n0.385852 0.232084 0.940305 S\n",
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{
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"created_at": "2022-09-04T15:36:44.455344Z",
"updated_at": "2022-09-04T15:36:44.455369Z",
"structure_string": "Ge32 Se32\n1.0\n8.247361 4.761616 6.733942\n-8.247361 4.761616 6.733942\n0.000000 -9.523233 6.733942\nGe Se\n32 32\ndirect\n0.969116 0.233256 0.027284 Ge\n0.535027 0.748706 0.029427 Ge\n0.733257 0.472716 0.030884 Ge\n0.751295 0.970573 0.035027 Ge\n0.226063 0.226063 0.226063 Ge\n0.271762 0.728237 0.228238 Ge\n0.027284 0.969116 0.233256 Ge\n0.470573 0.464973 0.248705 Ge\n0.529427 0.964973 0.251294 Ge\n0.972716 0.469116 0.266743 Ge\n0.728237 0.228238 0.271762 Ge\n0.773937 0.726062 0.273938 Ge\n0.248705 0.470573 0.464973 Ge\n0.266743 0.972716 0.469116 Ge\n0.464973 0.248705 0.470573 Ge\n0.030884 0.733257 0.472716 Ge\n0.530884 0.766744 0.527284 Ge\n0.964973 0.251294 0.529427 Ge\n0.766744 0.527284 0.530884 Ge\n0.748706 0.029427 0.535027 Ge\n0.273938 0.773937 0.726062 Ge\n0.228238 0.271762 0.728237 Ge\n0.472716 0.030884 0.733257 Ge\n0.029427 0.535027 0.748706 Ge\n0.970573 0.035027 0.751295 Ge\n0.527284 0.530884 0.766744 Ge\n0.771762 0.771762 0.771762 Ge\n0.726062 0.273938 0.773937 Ge\n0.251294 0.529427 0.964973 Ge\n0.233256 0.027284 0.969116 Ge\n0.035027 0.751295 0.970573 Ge\n0.469116 0.266743 0.972716 Ge\n0.462330 0.537670 0.037670 Se\n0.952688 0.452688 0.047312 Se\n0.751088 0.194741 0.051506 Se\n0.749198 0.695145 0.053499 Se\n0.051506 0.751088 0.194741 Se\n0.446501 0.250801 0.195144 Se\n0.694741 0.448494 0.248912 Se\n0.804856 0.946501 0.249198 Se\n0.195144 0.446501 0.250801 Se\n0.305258 0.948494 0.251089 Se\n0.553500 0.750802 0.304855 Se\n0.948494 0.251089 0.305258 Se\n0.250801 0.195144 0.446501 Se\n0.248912 0.694741 0.448494 Se\n0.047312 0.952688 0.452688 Se\n0.537670 0.037670 0.462330 Se\n0.037670 0.462330 0.537670 Se\n0.547313 0.547313 0.547313 Se\n0.748911 0.805260 0.551505 Se\n0.750802 0.304855 0.553500 Se\n0.448494 0.248912 0.694741 Se\n0.053499 0.749198 0.695145 Se\n0.805260 0.551505 0.748911 Se\n0.695145 0.053499 0.749198 Se\n0.304855 0.553500 0.750802 Se\n0.194741 0.051506 0.751088 Se\n0.946501 0.249198 0.804856 Se\n0.551505 0.748911 0.805260 Se\n0.249198 0.804856 0.946501 Se\n0.251089 0.305258 0.948494 Se\n0.452688 0.047312 0.952688 Se\n0.962330 0.962330 0.962330 Se\n",
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{
"id": "oqmd-652633",
"created_at": "2022-09-04T15:33:16.825175Z",
"updated_at": "2022-09-04T15:33:16.825203Z",
"structure_string": "Ba12 P8 Se32\n1.0\n12.399126 0.000000 0.000265\n0.000000 6.977381 0.000000\n-0.073044 0.000000 18.323214\nBa P Se\n12 8 32\ndirect\n0.850542 0.506482 0.078292 Ba\n0.350542 0.993517 0.078292 Ba\n0.527108 0.569861 0.255056 Ba\n0.027108 0.930138 0.255056 Ba\n0.671922 0.021350 0.422847 Ba\n0.171922 0.478649 0.422847 Ba\n0.328078 0.978649 0.577152 Ba\n0.828078 0.521350 0.577153 Ba\n0.972892 0.069861 0.744944 Ba\n0.472892 0.430138 0.744944 Ba\n0.149458 0.493518 0.921707 Ba\n0.649458 0.006482 0.921708 Ba\n0.666483 0.046001 0.139848 P\n0.166483 0.453998 0.139849 P\n0.832922 0.522976 0.361426 P\n0.332922 0.977024 0.361426 P\n0.667078 0.022976 0.638574 P\n0.167078 0.477024 0.638574 P\n0.833517 0.546003 0.860151 P\n0.333517 0.953998 0.860152 P\n0.601158 0.280142 0.069226 Se\n0.101158 0.219858 0.069226 Se\n0.606127 0.769011 0.092402 Se\n0.106127 0.730989 0.092403 Se\n0.845172 0.047215 0.124953 Se\n0.345172 0.452784 0.124953 Se\n0.589229 0.089172 0.248677 Se\n0.089229 0.410827 0.248677 Se\n0.798432 0.645716 0.251760 Se\n0.298431 0.854283 0.251760 Se\n0.908902 0.237287 0.377332 Se\n0.408902 0.262713 0.377332 Se\n0.936434 0.735279 0.419801 Se\n0.436434 0.764721 0.419802 Se\n0.675816 0.512970 0.420490 Se\n0.175816 0.987029 0.420490 Se\n0.824184 0.012970 0.579510 Se\n0.324184 0.487029 0.579510 Se\n0.563566 0.235279 0.580198 Se\n0.063567 0.264721 0.580199 Se\n0.591098 0.737287 0.622668 Se\n0.091098 0.762713 0.622668 Se\n0.701568 0.145717 0.748240 Se\n0.201568 0.354283 0.748240 Se\n0.910771 0.589172 0.751323 Se\n0.410771 0.910827 0.751323 Se\n0.654828 0.547215 0.875047 Se\n0.154828 0.952784 0.875047 Se\n0.893873 0.269011 0.907597 Se\n0.393873 0.230989 0.907598 Se\n0.898841 0.780144 0.930774 Se\n0.398842 0.719857 0.930774 Se\n",
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{
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"created_at": "2022-09-04T15:46:53.723835Z",
"updated_at": "2022-09-04T15:46:53.723867Z",
"structure_string": "Na46 In8\n1.0\n9.316584 0.000000 0.000000\n-4.658292 8.068399 0.000000\n0.000000 0.000000 21.087832\nIn Na\n8 46\ndirect\n0.000000 0.000000 0.000000 In\n0.448638 0.224318 0.250000 In\n0.775681 0.224318 0.250000 In\n0.775681 0.551362 0.250000 In\n0.000000 0.000000 0.500000 In\n0.224319 0.448638 0.750000 In\n0.224319 0.775681 0.750000 In\n0.551362 0.775681 0.750000 In\n0.207911 0.415821 0.027349 Na\n0.207910 0.792089 0.027349 Na\n0.584179 0.792089 0.027349 Na\n0.666667 0.333334 0.113929 Na\n0.246480 0.123240 0.117656 Na\n0.876761 0.123240 0.117656 Na\n0.876760 0.753521 0.117656 Na\n0.077468 0.538734 0.165384 Na\n0.461266 0.538734 0.165384 Na\n0.461266 0.922531 0.165384 Na\n0.126194 0.252388 0.250000 Na\n0.126194 0.873805 0.250000 Na\n0.747611 0.873805 0.250000 Na\n0.077468 0.538734 0.334617 Na\n0.461266 0.538734 0.334617 Na\n0.461266 0.922531 0.334617 Na\n0.246480 0.123240 0.382344 Na\n0.876761 0.123240 0.382344 Na\n0.876760 0.753521 0.382344 Na\n0.666667 0.333334 0.386071 Na\n0.207911 0.415821 0.472651 Na\n0.207910 0.792089 0.472651 Na\n0.584179 0.792089 0.472651 Na\n0.415821 0.207911 0.527349 Na\n0.792090 0.207911 0.527349 Na\n0.792089 0.584179 0.527349 Na\n0.333333 0.666666 0.613929 Na\n0.123239 0.246479 0.617657 Na\n0.123239 0.876760 0.617657 Na\n0.753521 0.876760 0.617657 Na\n0.538734 0.077469 0.665384 Na\n0.538735 0.461265 0.665384 Na\n0.922531 0.461265 0.665384 Na\n0.252389 0.126195 0.750000 Na\n0.873807 0.126195 0.750000 Na\n0.873806 0.747612 0.750000 Na\n0.538734 0.077469 0.834616 Na\n0.538735 0.461265 0.834616 Na\n0.922531 0.461265 0.834616 Na\n0.123239 0.246479 0.882343 Na\n0.123239 0.876760 0.882343 Na\n0.753521 0.876760 0.882343 Na\n0.333333 0.666666 0.886071 Na\n0.415821 0.207911 0.972651 Na\n0.792090 0.207911 0.972651 Na\n0.792089 0.584179 0.972651 Na\n",
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{
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"updated_at": "2022-09-04T14:49:11.435976Z",
"structure_string": "Ba18 Cr12 S36\n1.0\n11.909086 -0.000003 0.000001\n-5.954546 10.313570 -0.000001\n0.000001 -0.000000 12.903375\nBa Cr S\n18 12 36\ndirect\n0.666661 0.717998 0.083329 Ba\n0.051339 0.333339 0.083331 Ba\n0.282001 0.948661 0.083331 Ba\n0.384674 0.384672 0.249998 Ba\n0.615327 0.000000 0.250000 Ba\n0.000000 0.615327 0.250001 Ba\n0.718000 0.666660 0.416669 Ba\n0.948661 0.282000 0.416671 Ba\n0.333341 0.051338 0.416671 Ba\n0.282002 0.333340 0.583330 Ba\n0.666661 0.948660 0.583330 Ba\n0.051339 0.717999 0.583331 Ba\n0.615328 0.615325 0.749998 Ba\n0.384673 0.000000 0.750001 Ba\n0.000000 0.384673 0.750001 Ba\n0.333340 0.281999 0.916669 Ba\n0.717999 0.051338 0.916671 Ba\n0.948661 0.666659 0.916671 Ba\n0.000000 0.000000 0.000000 Cr\n0.666669 0.333332 0.083337 Cr\n0.333335 0.666665 0.166670 Cr\n0.000000 0.000000 0.250000 Cr\n0.666668 0.333332 0.333331 Cr\n0.333335 0.666665 0.416664 Cr\n0.000000 0.000000 0.500000 Cr\n0.666668 0.333331 0.583337 Cr\n0.333335 0.666665 0.666670 Cr\n0.000000 0.000000 0.750000 Cr\n0.666668 0.333332 0.833331 Cr\n0.333335 0.666666 0.916664 Cr\n0.363206 0.527397 0.045224 S\n0.472601 0.835805 0.045224 S\n0.164195 0.636794 0.045225 S\n0.169133 0.139269 0.121464 S\n0.860731 0.029862 0.121465 S\n0.970138 0.830867 0.121465 S\n0.805931 0.303471 0.211854 S\n0.696530 0.502457 0.211854 S\n0.497544 0.194068 0.211855 S\n0.502460 0.696526 0.288143 S\n0.303474 0.805930 0.288144 S\n0.194071 0.497540 0.288145 S\n0.139272 0.169133 0.378535 S\n0.830869 0.970138 0.378536 S\n0.029864 0.860729 0.378536 S\n0.835806 0.472600 0.454779 S\n0.527401 0.363204 0.454779 S\n0.636796 0.164193 0.454779 S\n0.472603 0.636794 0.545223 S\n0.164195 0.527399 0.545224 S\n0.363206 0.835805 0.545224 S\n0.970139 0.139269 0.621465 S\n0.860731 0.830867 0.621465 S\n0.169134 0.029863 0.621465 S\n0.497543 0.303470 0.711853 S\n0.696529 0.194069 0.711854 S\n0.805932 0.502456 0.711855 S\n0.303474 0.497541 0.788143 S\n0.194070 0.696526 0.788144 S\n0.502460 0.805930 0.788145 S\n0.830868 0.860728 0.878535 S\n0.139271 0.970136 0.878535 S\n0.029863 0.169132 0.878536 S\n0.527401 0.164195 0.954779 S\n0.636796 0.472599 0.954779 S\n0.835807 0.363203 0.954780 S\n",
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{
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{
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