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{
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{
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"structure_string": "Cu12 Sn48\n1.0\n-7.519691 7.519691 7.519691\n7.519691 -7.519691 7.519691\n7.519691 7.519691 -7.519691\nCu Sn\n12 48\ndirect\n0.250000 0.375000 0.125000 Cu\n0.375000 0.750000 0.125000 Cu\n0.375000 0.125000 0.250000 Cu\n0.875000 0.625000 0.250000 Cu\n0.750000 0.125000 0.375000 Cu\n0.125000 0.250000 0.375000 Cu\n0.250000 0.875000 0.625000 Cu\n0.875000 0.750000 0.625000 Cu\n0.125000 0.375000 0.750000 Cu\n0.625000 0.875000 0.750000 Cu\n0.625000 0.250000 0.875000 Cu\n0.750000 0.625000 0.875000 Cu\n0.214738 0.126836 0.037249 Sn\n0.322511 0.910414 0.037249 Sn\n0.873164 0.410414 0.087903 Sn\n0.714738 0.677489 0.087903 Sn\n0.626836 0.412097 0.089587 Sn\n0.962752 0.677489 0.089587 Sn\n0.037249 0.214738 0.126836 Sn\n0.589587 0.912098 0.126836 Sn\n0.214739 0.587902 0.177489 Sn\n0.462751 0.589587 0.177489 Sn\n0.126836 0.037249 0.214738 Sn\n0.587902 0.177489 0.214739 Sn\n0.322511 0.912097 0.285262 Sn\n0.462752 0.373164 0.285262 Sn\n0.912097 0.285262 0.322511 Sn\n0.910414 0.037249 0.322511 Sn\n0.285262 0.462752 0.373164 Sn\n0.587902 0.910413 0.373164 Sn\n0.822510 0.537249 0.410413 Sn\n0.087903 0.873164 0.410414 Sn\n0.089587 0.626836 0.412097 Sn\n0.822511 0.785262 0.412097 Sn\n0.589587 0.177489 0.462751 Sn\n0.373164 0.285262 0.462752 Sn\n0.410413 0.822510 0.537249 Sn\n0.626836 0.714739 0.537249 Sn\n0.910413 0.373164 0.587902 Sn\n0.177489 0.214739 0.587902 Sn\n0.177489 0.462751 0.589587 Sn\n0.912098 0.126836 0.589587 Sn\n0.412097 0.089587 0.626836 Sn\n0.714739 0.537249 0.626836 Sn\n0.089587 0.962752 0.677489 Sn\n0.087903 0.714738 0.677489 Sn\n0.677489 0.087903 0.714738 Sn\n0.537249 0.626836 0.714739 Sn\n0.412097 0.822511 0.785262 Sn\n0.873164 0.962751 0.785262 Sn\n0.537249 0.410413 0.822510 Sn\n0.785262 0.412097 0.822511 Sn\n0.410414 0.087903 0.873164 Sn\n0.962751 0.785262 0.873164 Sn\n0.373164 0.587902 0.910413 Sn\n0.037249 0.322511 0.910414 Sn\n0.285262 0.322511 0.912097 Sn\n0.126836 0.589587 0.912098 Sn\n0.785262 0.873164 0.962751 Sn\n0.677489 0.089587 0.962752 Sn\n",
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{
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"created_at": "2022-09-04T15:38:35.243592Z",
"updated_at": "2022-09-04T15:38:35.243620Z",
"structure_string": "Cs4 Ag6 Bi16 Se30\n1.0\n4.179998 0.000000 0.000000\n0.000000 32.413538 0.000000\n0.000000 0.000000 12.528700\nAg Bi Cs Se\n6 16 4 30\ndirect\n0.000000 0.750000 0.000000 Ag\n0.000000 0.283828 0.212924 Ag\n0.500000 0.783828 0.287076 Ag\n0.500000 0.250000 0.500000 Ag\n0.500000 0.716172 0.712924 Ag\n0.000000 0.216172 0.787076 Ag\n0.500000 0.188086 0.065196 Bi\n0.000000 0.408795 0.109289 Bi\n0.000000 0.872050 0.111828 Bi\n0.500000 0.663132 0.155413 Bi\n0.000000 0.163132 0.344587 Bi\n0.500000 0.372050 0.388172 Bi\n0.500000 0.908795 0.390711 Bi\n0.000000 0.688086 0.434804 Bi\n0.000000 0.811914 0.565196 Bi\n0.500000 0.591205 0.609289 Bi\n0.500000 0.127950 0.611828 Bi\n0.000000 0.336868 0.655413 Bi\n0.500000 0.836868 0.844587 Bi\n0.000000 0.627950 0.888172 Bi\n0.000000 0.091205 0.890711 Bi\n0.500000 0.311914 0.934804 Bi\n0.000000 0.024643 0.208464 Cs\n0.500000 0.524643 0.291536 Cs\n0.500000 0.975357 0.708464 Cs\n0.000000 0.475357 0.791536 Cs\n0.000000 0.250000 0.000000 Se\n0.500000 0.462861 0.049181 Se\n0.500000 0.806144 0.062320 Se\n0.000000 0.602897 0.108726 Se\n0.000000 0.130803 0.119541 Se\n0.500000 0.338807 0.163473 Se\n0.500000 0.930812 0.168859 Se\n0.000000 0.726061 0.222358 Se\n0.500000 0.226061 0.277642 Se\n0.000000 0.430812 0.331141 Se\n0.000000 0.838807 0.336527 Se\n0.500000 0.630803 0.380459 Se\n0.500000 0.102897 0.391274 Se\n0.000000 0.306144 0.437680 Se\n0.000000 0.962861 0.450819 Se\n0.500000 0.750000 0.500000 Se\n0.000000 0.537139 0.549181 Se\n0.000000 0.193856 0.562320 Se\n0.500000 0.397103 0.608726 Se\n0.500000 0.869197 0.619541 Se\n0.000000 0.661193 0.663473 Se\n0.000000 0.069188 0.668859 Se\n0.500000 0.273939 0.722358 Se\n0.000000 0.773939 0.777642 Se\n0.500000 0.569188 0.831141 Se\n0.500000 0.161193 0.836527 Se\n0.000000 0.369197 0.880459 Se\n0.000000 0.897103 0.891274 Se\n0.500000 0.693856 0.937680 Se\n0.500000 0.037139 0.950819 Se\n",
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{
"id": "oqmd-22905",
"created_at": "2022-09-04T14:49:17.751451Z",
"updated_at": "2022-09-04T14:49:17.751478Z",
"structure_string": "Li85 Sn20\n1.0\n0.000000 9.462643 9.462643\n9.462643 0.000000 9.462643\n9.462643 9.462643 0.000000\nLi Sn\n85 20\ndirect\n0.000000 0.000000 0.000000 Li\n0.318888 0.318888 0.043335 Li\n0.733090 0.454296 0.079524 Li\n0.454296 0.733090 0.079524 Li\n0.733090 0.733090 0.079525 Li\n0.827531 0.827531 0.172468 Li\n0.827531 0.172469 0.172469 Li\n0.172469 0.827531 0.172469 Li\n0.173608 0.173608 0.173608 Li\n0.479173 0.173608 0.173608 Li\n0.173608 0.479173 0.173608 Li\n0.824988 0.481850 0.211313 Li\n0.481850 0.824988 0.211313 Li\n0.481850 0.481850 0.211313 Li\n0.925792 0.925792 0.222624 Li\n0.579759 0.238833 0.238833 Li\n0.942574 0.238833 0.238833 Li\n0.238833 0.579759 0.238833 Li\n0.942574 0.579759 0.238833 Li\n0.238833 0.942574 0.238833 Li\n0.579759 0.942574 0.238833 Li\n0.583572 0.583572 0.249284 Li\n0.318888 0.043335 0.318888 Li\n0.043335 0.318888 0.318888 Li\n0.318888 0.318888 0.318888 Li\n0.991455 0.991455 0.334738 Li\n0.991454 0.682352 0.334739 Li\n0.682352 0.991454 0.334739 Li\n0.444396 0.444396 0.444396 Li\n0.666811 0.444396 0.444396 Li\n0.444396 0.666811 0.444396 Li\n0.733090 0.079524 0.454296 Li\n0.079524 0.733090 0.454296 Li\n0.733090 0.733090 0.454296 Li\n0.173608 0.173608 0.479173 Li\n0.481850 0.211313 0.481850 Li\n0.211313 0.481850 0.481850 Li\n0.824988 0.481850 0.481850 Li\n0.481850 0.824988 0.481850 Li\n0.824988 0.211313 0.481850 Li\n0.211313 0.824988 0.481850 Li\n0.923084 0.576917 0.576917 Li\n0.576917 0.923084 0.576917 Li\n0.923084 0.923084 0.576917 Li\n0.238833 0.238833 0.579759 Li\n0.942574 0.238833 0.579759 Li\n0.238833 0.942574 0.579759 Li\n0.583572 0.249284 0.583572 Li\n0.249284 0.583572 0.583572 Li\n0.583572 0.583572 0.583572 Li\n0.444396 0.444396 0.666811 Li\n0.991455 0.991455 0.682352 Li\n0.991454 0.334739 0.682352 Li\n0.334739 0.991454 0.682352 Li\n0.696298 0.696298 0.696298 Li\n0.911106 0.696298 0.696298 Li\n0.696298 0.911106 0.696298 Li\n0.733090 0.079525 0.733090 Li\n0.733090 0.454296 0.733090 Li\n0.079525 0.733090 0.733090 Li\n0.454296 0.733090 0.733090 Li\n0.454296 0.079524 0.733090 Li\n0.079524 0.454296 0.733090 Li\n0.481850 0.211313 0.824988 Li\n0.211313 0.481850 0.824988 Li\n0.481850 0.481850 0.824988 Li\n0.172469 0.172469 0.827531 Li\n0.827531 0.172468 0.827531 Li\n0.172468 0.827531 0.827531 Li\n0.696298 0.696298 0.911106 Li\n0.576917 0.576917 0.923084 Li\n0.923084 0.576917 0.923084 Li\n0.576917 0.923084 0.923084 Li\n0.925792 0.222624 0.925792 Li\n0.222624 0.925792 0.925792 Li\n0.925792 0.925792 0.925792 Li\n0.238833 0.238833 0.942574 Li\n0.579759 0.238833 0.942574 Li\n0.238833 0.579759 0.942574 Li\n0.682352 0.334739 0.991454 Li\n0.334739 0.682352 0.991454 Li\n0.991455 0.334738 0.991455 Li\n0.991455 0.682352 0.991455 Li\n0.334738 0.991455 0.991455 Li\n0.682352 0.991455 0.991455 Li\n0.429760 0.429760 0.070239 Sn\n0.429760 0.070240 0.070240 Sn\n0.070240 0.429760 0.070240 Sn\n0.084435 0.084435 0.084435 Sn\n0.746696 0.084435 0.084435 Sn\n0.084435 0.746696 0.084435 Sn\n0.679627 0.320373 0.320373 Sn\n0.679627 0.679627 0.320373 Sn\n0.320373 0.679627 0.320373 Sn\n0.070240 0.070240 0.429760 Sn\n0.429760 0.070239 0.429760 Sn\n0.070239 0.429760 0.429760 Sn\n0.840171 0.840171 0.479487 Sn\n0.320373 0.320373 0.679627 Sn\n0.679627 0.320373 0.679627 Sn\n0.320373 0.679627 0.679627 Sn\n0.084435 0.084435 0.746696 Sn\n0.840171 0.479487 0.840171 Sn\n0.479487 0.840171 0.840171 Sn\n0.840171 0.840171 0.840171 Sn\n",
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{
"id": "oqmd-81594",
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"structure_string": "Ge16 Se36\n1.0\n18.118478 0.000000 0.000000\n0.000000 7.180698 0.000000\n0.000000 0.000000 13.020975\nGe Se\n16 36\ndirect\n0.958709 0.320311 0.135846 Ge\n0.458709 0.679689 0.135846 Ge\n0.145703 0.179366 0.136215 Ge\n0.645703 0.820633 0.136215 Ge\n0.774577 0.186946 0.202886 Ge\n0.274577 0.813056 0.202886 Ge\n0.330399 0.315024 0.207243 Ge\n0.830399 0.684977 0.207243 Ge\n0.541292 0.320311 0.635846 Ge\n0.041292 0.679689 0.635846 Ge\n0.354297 0.179366 0.636215 Ge\n0.854297 0.820633 0.636215 Ge\n0.725423 0.186946 0.702886 Ge\n0.225423 0.813056 0.702886 Ge\n0.169601 0.315024 0.707243 Ge\n0.669600 0.684977 0.707243 Ge\n0.052391 0.250510 0.011355 Se\n0.552391 0.749490 0.011355 Se\n0.849890 0.204381 0.052938 Se\n0.349891 0.795619 0.052938 Se\n0.256396 0.290771 0.056536 Se\n0.756396 0.709229 0.056536 Se\n0.648471 0.154996 0.154745 Se\n0.148470 0.845004 0.154745 Se\n0.456073 0.346033 0.156357 Se\n0.956073 0.653966 0.156357 Se\n0.993735 0.167797 0.293663 Se\n0.493735 0.832203 0.293663 Se\n0.109282 0.327559 0.294371 Se\n0.609282 0.672440 0.294371 Se\n0.324497 0.045564 0.317353 Se\n0.824496 0.954435 0.317353 Se\n0.782251 0.447521 0.319092 Se\n0.282251 0.552481 0.319092 Se\n0.447609 0.250510 0.511355 Se\n0.947609 0.749490 0.511355 Se\n0.650109 0.204381 0.552939 Se\n0.150110 0.795619 0.552939 Se\n0.243604 0.290771 0.556535 Se\n0.743604 0.709229 0.556535 Se\n0.851530 0.154996 0.654745 Se\n0.351530 0.845004 0.654745 Se\n0.043927 0.346033 0.656357 Se\n0.543927 0.653966 0.656357 Se\n0.506265 0.167797 0.793663 Se\n0.006265 0.832203 0.793663 Se\n0.390718 0.327559 0.794371 Se\n0.890718 0.672440 0.794371 Se\n0.175504 0.045564 0.817353 Se\n0.675503 0.954435 0.817353 Se\n0.717749 0.447521 0.819092 Se\n0.217749 0.552481 0.819092 Se\n",
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{
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