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{
"id": "jvasp-88736",
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"structure_string": "Ca4 Mg4 Si8 O24\n1.0\n9.772219 0.000000 -0.516764\n0.000000 8.296041 0.000000\n0.309195 0.000000 5.371853\nCa Mg Si O\n4 4 8 24\ndirect\n0.730051 0.445647 0.600516 Ca\n0.269950 0.945647 0.899484 Ca\n0.269950 0.554353 0.399484 Ca\n0.730051 0.054353 0.100516 Ca\n0.233840 0.333521 0.879080 Mg\n0.766161 0.833521 0.620920 Mg\n0.766160 0.666479 0.120920 Mg\n0.233840 0.166479 0.379080 Mg\n0.036805 0.847696 0.271090 Si\n0.963196 0.347696 0.228911 Si\n0.036805 0.652304 0.771089 Si\n0.963196 0.152304 0.728911 Si\n0.499742 0.669944 0.964188 Si\n0.499741 0.830056 0.464188 Si\n0.500259 0.330056 0.035812 Si\n0.500259 0.169944 0.535812 Si\n0.370452 0.310276 0.560996 O\n0.902159 0.271092 0.961225 O\n0.097842 0.771092 0.538775 O\n0.128574 0.352986 0.216545 O\n0.871426 0.852986 0.283456 O\n0.871426 0.647014 0.783455 O\n0.128575 0.147014 0.716545 O\n0.370452 0.189724 0.060996 O\n0.629549 0.689724 0.439005 O\n0.629549 0.810276 0.939004 O\n0.385876 0.490782 0.029005 O\n0.117975 0.010872 0.214943 O\n0.614124 0.509217 0.970995 O\n0.385876 0.009217 0.529005 O\n0.587494 0.273598 0.298382 O\n0.412507 0.773598 0.201619 O\n0.412507 0.726402 0.701619 O\n0.587494 0.226402 0.798381 O\n0.902158 0.228908 0.461225 O\n0.882026 0.510872 0.285058 O\n0.882026 0.989128 0.785057 O\n0.117975 0.489128 0.714942 O\n0.614124 0.990782 0.470995 O\n0.097842 0.728908 0.038775 O\n",
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{
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"created_at": "2022-09-04T14:36:06.657104Z",
"updated_at": "2022-09-04T14:36:06.657130Z",
"structure_string": "Mg12 Si4 O16 F8\n1.0\n4.746240 0.000000 0.000000\n-0.000000 8.774269 0.000000\n0.000000 0.000000 10.321135\nMg Si O F\n12 4 16 8\ndirect\n0.990029 0.430238 0.632824 Mg\n0.490029 0.569762 0.867175 Mg\n0.009971 0.569762 0.367175 Mg\n0.494743 0.750000 0.593224 Mg\n0.509971 0.430238 0.132825 Mg\n0.009971 0.930238 0.367175 Mg\n0.490029 0.930238 0.867175 Mg\n0.005257 0.750000 0.093225 Mg\n0.990029 0.069762 0.632824 Mg\n0.509971 0.069762 0.132825 Mg\n0.994743 0.250000 0.906775 Mg\n0.505257 0.250000 0.406775 Mg\n0.920956 0.750000 0.780306 Si\n0.579044 0.750000 0.280306 Si\n0.079044 0.250000 0.219693 Si\n0.420956 0.250000 0.719693 Si\n0.732443 0.602621 0.208498 O\n0.232443 0.397379 0.291501 O\n0.735730 0.250000 0.220971 O\n0.767557 0.602621 0.708497 O\n0.222851 0.250000 0.073601 O\n0.232443 0.102621 0.291501 O\n0.264270 0.750000 0.779029 O\n0.267557 0.397379 0.791502 O\n0.777149 0.750000 0.926399 O\n0.767557 0.897379 0.708497 O\n0.722851 0.750000 0.426399 O\n0.277149 0.250000 0.573601 O\n0.235730 0.750000 0.279029 O\n0.267557 0.102621 0.791502 O\n0.732443 0.897379 0.208498 O\n0.764270 0.250000 0.720971 O\n0.772624 0.084685 0.466803 F\n0.272624 0.915315 0.033197 F\n0.227376 0.584685 0.533197 F\n0.727376 0.084685 0.966802 F\n0.727376 0.415315 0.966802 F\n0.772624 0.415315 0.466803 F\n0.227376 0.915315 0.533197 F\n0.272624 0.584685 0.033197 F\n",
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{
"id": "jvasp-88271",
"created_at": "2022-09-04T14:35:58.486927Z",
"updated_at": "2022-09-04T14:35:58.486964Z",
"structure_string": "Mg8 Si8 O24\n1.0\n5.361753 -0.000000 0.000000\n-0.000000 8.771100 0.000000\n0.000000 0.000000 9.341581\nMg Si O\n8 8 24\ndirect\n0.250000 0.263128 0.000000 Mg\n0.250000 0.904375 0.000000 Mg\n0.250000 0.763128 0.500000 Mg\n0.750000 0.595625 0.500000 Mg\n0.750000 0.736872 0.000000 Mg\n0.750000 0.095625 0.000000 Mg\n0.750000 0.236872 0.500000 Mg\n0.250000 0.404375 0.500000 Mg\n0.566388 0.408381 0.207771 Si\n0.566388 0.908381 0.292229 Si\n0.066389 0.091619 0.292229 Si\n0.933611 0.908381 0.707771 Si\n0.066389 0.591619 0.207771 Si\n0.433611 0.091619 0.707771 Si\n0.433611 0.591619 0.792229 Si\n0.933611 0.408381 0.792229 Si\n0.078653 0.593999 0.382200 O\n0.711519 0.526222 0.849958 O\n0.788481 0.526222 0.150042 O\n0.921346 0.406001 0.617799 O\n0.921346 0.906001 0.882200 O\n0.578653 0.906001 0.117800 O\n0.788481 0.026222 0.349958 O\n0.711519 0.026222 0.650042 O\n0.211519 -0.026222 0.650042 O\n0.211519 0.473778 0.849958 O\n0.421347 0.593999 0.617799 O\n0.421347 0.093999 0.882200 O\n0.569892 0.249200 0.122631 O\n0.430108 0.250800 0.622631 O\n0.069892 0.750800 0.122631 O\n0.569892 0.749199 0.377369 O\n0.578653 0.406001 0.382200 O\n0.288481 -0.026222 0.349958 O\n0.430108 0.750800 0.877369 O\n0.069892 0.250800 0.377369 O\n0.078653 0.093999 0.117800 O\n0.288481 0.473778 0.150042 O\n0.930108 0.249200 0.877369 O\n0.930108 0.749199 0.622631 O\n",
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},
{
"id": "jvasp-29304",
"created_at": "2022-09-04T14:38:07.589878Z",
"updated_at": "2022-09-04T14:38:07.589908Z",
"structure_string": "Nb12 Si4 Te24\n1.0\n6.442061 -0.000000 0.000000\n0.000000 11.661681 0.000000\n0.000000 0.000000 14.238720\nNb Si Te\n12 4 24\ndirect\n0.168792 0.835104 0.250000 Nb\n0.668792 0.664895 0.250000 Nb\n0.331208 0.335105 0.750000 Nb\n0.831208 0.164895 0.750000 Nb\n0.695932 0.967882 0.250000 Nb\n0.195932 0.532118 0.250000 Nb\n0.804068 0.467882 0.750000 Nb\n0.304068 0.032118 0.750000 Nb\n0.969140 0.312052 0.250000 Nb\n0.469140 0.187948 0.250000 Nb\n0.530860 0.812052 0.750000 Nb\n0.030860 0.687948 0.750000 Nb\n0.924500 0.925212 0.750000 Si\n0.424500 0.574788 0.750000 Si\n0.575500 0.425212 0.250000 Si\n0.075500 0.074788 0.250000 Si\n0.144791 0.497694 0.879038 Te\n0.644791 0.002306 0.620962 Te\n0.644791 0.002306 0.879038 Te\n0.144791 0.497694 0.620962 Te\n0.855208 0.502306 0.120962 Te\n0.355208 0.997694 0.379038 Te\n0.796420 0.156318 0.117334 Te\n0.296421 0.343682 0.382666 Te\n0.703579 0.656318 0.882666 Te\n0.203579 0.843682 0.617334 Te\n0.203579 0.843682 0.882666 Te\n0.151087 0.182081 0.884137 Te\n0.296421 0.343682 0.117334 Te\n0.796420 0.156318 0.382666 Te\n0.848913 0.817919 0.115863 Te\n0.348913 0.682081 0.384137 Te\n0.651087 0.317919 0.884137 Te\n0.151087 0.182081 0.615863 Te\n0.855208 0.502306 0.379038 Te\n0.651087 0.317919 0.615863 Te\n0.348913 0.682081 0.115863 Te\n0.848913 0.817919 0.384137 Te\n0.703579 0.656318 0.617334 Te\n0.355208 0.997694 0.120962 Te\n",
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{
"id": "jvasp-24985",
"created_at": "2022-09-04T14:38:18.856622Z",
"updated_at": "2022-09-04T14:38:18.856646Z",
"structure_string": "K9 U6 Bi1 O24\n1.0\n8.732297 -0.000000 -0.000000\n-0.000000 8.732297 0.000000\n0.000000 -0.000000 8.732297\nK U Bi O\n9 6 1 24\ndirect\n0.000000 0.000000 0.000000 K\n0.753739 0.753739 0.753739 K\n0.246261 0.246261 0.753739 K\n0.753739 0.246261 0.246261 K\n0.246261 0.246261 0.246261 K\n0.246261 0.753739 0.246261 K\n0.753739 0.246261 0.753739 K\n0.246261 0.753739 0.753739 K\n0.753739 0.753739 0.246261 K\n0.500000 0.000000 0.500000 U\n0.500000 0.500000 0.000000 U\n0.000000 0.500000 0.500000 U\n0.000000 0.500000 0.000000 U\n0.000000 0.000000 0.500000 U\n0.500000 0.000000 0.000000 U\n0.500000 0.500000 0.500000 Bi\n0.716934 0.000000 0.000000 O\n0.500000 0.745591 0.000000 O\n0.000000 0.000000 0.283066 O\n0.745591 0.500000 0.000000 O\n0.254410 0.500000 0.000000 O\n0.768860 0.500000 0.500000 O\n0.000000 0.254410 0.500000 O\n0.500000 0.231140 0.500000 O\n0.500000 0.768860 0.500000 O\n0.000000 0.745591 0.500000 O\n0.500000 0.000000 0.745591 O\n0.500000 0.000000 0.254410 O\n0.745591 0.000000 0.500000 O\n0.500000 0.500000 0.768860 O\n0.254410 0.000000 0.500000 O\n0.000000 0.283066 0.000000 O\n0.000000 0.500000 0.254410 O\n0.500000 0.500000 0.231140 O\n0.231140 0.500000 0.500000 O\n0.000000 0.716934 0.000000 O\n0.500000 0.254410 0.000000 O\n0.283066 0.000000 0.000000 O\n0.000000 0.500000 0.745591 O\n0.000000 0.000000 0.716934 O\n",
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{
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"structure_string": "K4 Hf4 Pd4 F28\n1.0\n6.267455 0.000000 0.000000\n-0.000000 8.917744 0.000000\n0.000000 0.000000 10.636579\nK Hf Pd F\n4 4 4 28\ndirect\n0.266078 0.000000 0.250000 K\n0.233922 0.500000 0.250000 K\n0.733923 0.000000 0.750000 K\n0.766078 0.500000 0.750000 K\n0.750001 0.750000 0.404927 Hf\n0.750001 0.250000 0.095073 Hf\n0.250000 0.250000 0.595073 Hf\n0.250000 0.750000 0.904927 Hf\n0.750001 0.750000 0.089087 Pd\n0.750001 0.250000 0.410913 Pd\n0.250000 0.750000 0.589087 Pd\n0.250000 0.250000 0.910913 Pd\n0.418849 0.677335 0.736898 F\n0.581152 0.677335 0.236898 F\n0.081151 0.177336 0.763102 F\n0.081151 0.822664 0.736898 F\n0.418849 0.322664 0.763102 F\n0.390620 0.053586 0.612680 F\n0.609381 0.946413 0.387320 F\n0.890621 0.553586 0.387320 F\n0.890621 0.446413 0.112680 F\n0.390620 0.946413 0.887320 F\n0.581152 0.322664 0.263102 F\n0.609381 0.053586 0.112680 F\n0.918849 0.177336 0.263102 F\n0.439651 0.664695 0.451502 F\n0.750001 0.750000 0.589983 F\n0.750001 0.250000 0.910018 F\n0.250000 0.250000 0.410018 F\n0.250000 0.750000 0.089982 F\n0.109380 0.446413 0.612680 F\n0.439651 0.335305 0.048498 F\n0.060349 0.164695 0.048498 F\n0.060349 0.835304 0.451502 F\n0.560350 0.335305 0.548498 F\n0.560350 0.664695 0.951502 F\n0.939651 0.835304 0.951502 F\n0.939651 0.164695 0.548498 F\n0.918849 0.822664 0.236898 F\n0.109380 0.553586 0.887320 F\n",
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{
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"structure_string": "Lu12 O8 F20\n1.0\n5.223608 -0.000000 0.000000\n0.000000 5.504654 0.000000\n0.000000 0.000000 16.805387\nLu O F\n12 8 20\ndirect\n0.538656 0.173535 0.902840 Lu\n0.038656 0.326464 0.097160 Lu\n0.961345 0.673535 0.597160 Lu\n0.461344 0.826464 0.402840 Lu\n0.461344 0.826464 0.097160 Lu\n0.961345 0.673535 0.902840 Lu\n0.038656 0.326464 0.402840 Lu\n0.538656 0.173535 0.597160 Lu\n0.956700 0.239298 0.750000 Lu\n0.456700 0.260702 0.250000 Lu\n0.543301 0.739298 0.750000 Lu\n0.043300 0.760701 0.250000 Lu\n0.299264 0.537002 0.168476 O\n0.799264 0.962997 0.831524 O\n0.799264 0.962997 0.668476 O\n0.200737 0.037003 0.331524 O\n0.700737 0.462997 0.831524 O\n0.200737 0.037003 0.168476 O\n0.700737 0.462997 0.668476 O\n0.299264 0.537002 0.331524 O\n0.217213 0.615889 0.486278 F\n0.717213 0.884110 0.513722 F\n0.717213 0.884110 0.986278 F\n0.217213 0.615889 0.013722 F\n0.782788 0.384110 0.513722 F\n0.282787 0.115889 0.486278 F\n0.641669 0.888703 0.250000 F\n0.358331 0.111296 0.750000 F\n0.858331 0.388703 0.250000 F\n0.673653 0.163917 0.374618 F\n0.326348 0.836082 0.874618 F\n0.141669 0.611296 0.750000 F\n0.826348 0.663917 0.125382 F\n0.173652 0.336082 0.874618 F\n0.673653 0.163917 0.125382 F\n0.326348 0.836082 0.625383 F\n0.826348 0.663917 0.374618 F\n0.782788 0.384110 0.986278 F\n0.173652 0.336082 0.625383 F\n0.282787 0.115889 0.013722 F\n",
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{
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"structure_string": "Ca8 Ti8 O24\n1.0\n0.000000 7.692849 0.002511\n7.666889 0.000000 0.000000\n0.000000 -0.142989 -7.691546\nCa Ti O\n8 8 24\ndirect\n0.723131 0.250000 0.767503 Ca\n0.276869 0.750000 0.232497 Ca\n0.232499 0.250000 0.776867 Ca\n0.767501 0.750000 0.223133 Ca\n0.732498 0.250000 0.276871 Ca\n0.267502 0.750000 0.723130 Ca\n0.223131 0.250000 0.267502 Ca\n0.776869 0.750000 0.732499 Ca\n0.000000 0.000000 0.000000 Ti\n0.000000 0.500000 0.000000 Ti\n-0.000000 0.500000 0.500000 Ti\n-0.000000 0.000000 0.500000 Ti\n0.500000 0.500000 0.000000 Ti\n0.500000 0.000000 0.500000 Ti\n0.500000 0.500000 0.500000 Ti\n0.500000 0.000000 0.000000 Ti\n0.541643 0.958251 0.250423 O\n0.250419 0.041749 0.041641 O\n0.749581 0.541749 0.958360 O\n0.549832 0.250000 0.029742 O\n0.450168 0.750000 0.970258 O\n0.970259 0.250000 0.950170 O\n0.029741 0.750000 0.049830 O\n0.541643 0.541750 0.250423 O\n0.458357 0.041750 0.749578 O\n0.458357 0.458251 0.749578 O\n0.750423 0.458251 0.541641 O\n0.950169 0.750000 0.470260 O\n0.249577 0.541750 0.458359 O\n0.750423 0.041749 0.541641 O\n0.958357 0.458251 0.249577 O\n0.041642 0.958252 0.750424 O\n0.041642 0.541749 0.750424 O\n0.958357 0.041749 0.249577 O\n0.250419 0.458251 0.041641 O\n0.049831 0.250000 0.529741 O\n0.529743 0.750000 0.549831 O\n0.470257 0.250000 0.450169 O\n0.249577 0.958251 0.458359 O\n0.749581 0.958251 0.958360 O\n",
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{
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