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{
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"structure_string": "Cr4 Ga1 Cu1 S8\n1.0\n6.098640 -0.000000 3.521051\n2.032880 5.749853 3.521051\n-0.000000 -0.000000 7.042103\nCr Ga Cu S\n4 1 1 8\ndirect\n0.636312 0.121230 0.121230 Cr\n0.121230 0.636311 0.121230 Cr\n0.121230 0.121230 0.636311 Cr\n0.121230 0.121230 0.121230 Cr\n0.500000 0.500000 0.500000 Ga\n0.750000 0.750000 0.750000 Cu\n0.349667 0.883444 0.883444 S\n0.883444 0.349667 0.883444 S\n0.883445 0.883444 0.349666 S\n0.883445 0.883444 0.883444 S\n0.904037 0.365320 0.365320 S\n0.365321 0.904037 0.365320 S\n0.365321 0.365320 0.904037 S\n0.365321 0.365320 0.365320 S\n",
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{
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"updated_at": "2022-09-04T14:38:40.859396Z",
"structure_string": "Y6 S2 O2 F10\n1.0\n3.668947 0.000000 0.000000\n0.000000 8.129749 4.596556\n0.000000 -0.004691 9.394382\nY S O F\n6 2 2 10\ndirect\n0.000000 0.584440 0.133004 Y\n0.000000 0.131974 0.270400 Y\n0.000000 0.298470 0.585251 Y\n0.500000 0.403438 0.896187 Y\n0.500000 0.877311 0.715378 Y\n0.500000 0.704916 0.402890 Y\n0.000000 0.670873 0.667653 S\n0.500000 0.326946 0.337962 S\n0.000000 0.383802 0.051655 O\n0.000000 0.563781 0.387363 O\n0.500000 0.622745 0.952658 F\n0.000000 0.843786 0.881001 F\n0.000000 0.887367 0.272913 F\n0.000000 0.272146 0.839275 F\n0.500000 0.143110 0.116805 F\n0.500000 0.120417 0.717448 F\n0.500000 0.731529 0.147829 F\n0.000000 0.047006 0.566047 F\n0.500000 0.430552 0.626181 F\n0.500000 0.955391 0.432101 F\n",
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{
"id": "jvasp-113094",
"created_at": "2022-09-04T14:38:45.080857Z",
"updated_at": "2022-09-04T14:38:45.080881Z",
"structure_string": "K8 La1 P4 Se16\n1.0\n9.251756 0.037344 -7.133460\n-1.809546 8.200549 -8.121525\n0.072409 -0.037344 11.682294\nK La P Se\n8 1 4 16\ndirect\n0.839508 0.201361 0.872639 K\n0.671277 0.798639 0.638147 K\n0.160492 0.033132 0.361853 K\n0.328722 0.966868 0.127361 K\n0.746354 0.746354 0.000000 K\n0.253646 0.253646 0.000000 K\n0.788077 0.288077 0.500000 K\n0.211923 0.711923 0.500000 K\n0.500000 0.500000 0.000000 La\n0.872395 0.834902 0.452206 P\n0.617304 0.165098 0.037492 P\n0.382696 0.420189 0.547794 P\n0.127605 0.579812 0.962508 P\n-0.002188 0.720522 0.875814 Se\n0.011572 0.520666 0.017629 Se\n0.496962 0.479334 0.490906 Se\n0.844708 0.121998 0.124186 Se\n0.002187 0.878002 0.722709 Se\n0.155292 0.279479 0.277291 Se\n0.645395 0.876988 0.378838 Se\n0.615740 0.427847 0.258860 Se\n0.354605 0.733443 0.231593 Se\n0.498151 0.266557 0.621162 Se\n0.384260 0.643118 0.812106 Se\n0.168987 0.356882 0.741141 Se\n0.503038 -0.006055 0.982371 Se\n0.831013 0.572153 0.187894 Se\n0.501849 0.123012 0.768407 Se\n0.988429 0.006055 0.509094 Se\n",
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{
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"structure_string": "K2 Sc1 In1 I6\n1.0\n7.478199 -0.000000 4.317540\n2.492733 7.050514 4.317540\n-0.000000 -0.000000 8.635081\nK Sc In I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 In\n0.764605 0.235395 0.235395 I\n0.235395 0.235395 0.764605 I\n0.235394 0.764605 0.764606 I\n0.235394 0.764605 0.235395 I\n0.764605 0.235395 0.764605 I\n0.764605 0.764605 0.235395 I\n",
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{
"id": "jvasp-111756",
"created_at": "2022-09-04T14:38:41.284919Z",
"updated_at": "2022-09-04T14:38:41.284944Z",
"structure_string": "Zn1 Cr4 Cu1 Se8\n1.0\n6.414800 -0.000000 3.703587\n2.138267 6.047932 3.703587\n-0.000000 -0.000000 7.407173\nZn Cr Cu Se\n1 4 1 8\ndirect\n0.500000 0.500000 0.500000 Zn\n0.631116 0.122961 0.122961 Cr\n0.122961 0.631115 0.122961 Cr\n0.122961 0.122961 0.631115 Cr\n0.122961 0.122961 0.122961 Cr\n0.750000 0.750000 0.750000 Cu\n0.351570 0.882810 0.882810 Se\n0.882810 0.351569 0.882810 Se\n0.882811 0.882810 0.351570 Se\n0.882811 0.882810 0.882810 Se\n0.905039 0.364987 0.364987 Se\n0.364987 0.905039 0.364987 Se\n0.364987 0.364987 0.905039 Se\n0.364987 0.364987 0.364987 Se\n",
"nsites": 14,
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{
"id": "jvasp-112600",
"created_at": "2022-09-04T14:38:41.247188Z",
"updated_at": "2022-09-04T14:38:41.247215Z",
"structure_string": "Ca4 Y4 B4 O16\n1.0\n3.574511 -0.000000 0.000000\n0.000000 9.641301 0.000000\n-0.000000 -0.000000 10.471758\nCa Y B O\n4 4 4 16\ndirect\n0.250000 0.669042 0.083501 Ca\n0.750000 0.330958 0.916499 Ca\n0.750000 0.169042 0.416499 Ca\n0.250000 0.830958 0.583501 Ca\n0.250000 0.087455 0.112453 Y\n0.750000 0.912545 0.887547 Y\n0.750000 0.587455 0.387547 Y\n0.250000 0.412545 0.612454 Y\n0.250000 0.131154 0.699908 B\n0.750000 0.868846 0.300092 B\n0.750000 0.631154 0.800092 B\n0.250000 0.368846 0.199908 B\n0.750000 0.385245 0.492590 O\n0.250000 0.614755 0.507410 O\n0.250000 0.147543 0.567203 O\n0.750000 0.852457 0.432797 O\n0.750000 0.647543 0.932797 O\n0.250000 0.352457 0.067203 O\n0.250000 0.250043 0.775840 O\n0.750000 0.498985 0.748050 O\n0.750000 0.750043 0.724160 O\n0.250000 0.249957 0.275840 O\n0.250000 0.998985 0.751950 O\n0.750000 0.001015 0.248050 O\n0.750000 0.114755 0.992590 O\n0.250000 0.501015 0.251950 O\n0.750000 0.749957 0.224160 O\n0.250000 0.885245 0.007410 O\n",
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{
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"created_at": "2022-09-04T14:38:47.125272Z",
"updated_at": "2022-09-04T14:38:47.125299Z",
"structure_string": "La4 Fe2 Co2 O12\n1.0\n5.449357 0.000000 0.000000\n-0.000000 4.519595 3.131402\n-0.000000 0.114217 9.469786\nLa Fe Co O\n4 2 2 12\ndirect\n0.978545 0.245592 0.750599 La\n0.478544 0.754410 0.749400 La\n0.021456 0.754410 0.249400 La\n0.521456 0.245591 0.250599 La\n0.000000 0.500001 -0.000000 Fe\n0.500000 0.500001 0.500000 Fe\n0.000000 0.000000 0.500000 Co\n0.500000 0.000000 -0.000000 Co\n0.771485 0.189767 0.032862 O\n0.271485 0.810235 0.467138 O\n0.777026 0.762387 0.466887 O\n0.277026 0.237614 0.033113 O\n0.228516 0.810235 0.967138 O\n0.004841 0.690820 0.746986 O\n0.995160 0.309181 0.253014 O\n0.495160 0.690820 0.246986 O\n0.722975 0.762387 0.966887 O\n0.504841 0.309182 0.753014 O\n0.728516 0.189767 0.532862 O\n0.222974 0.237614 0.533113 O\n",
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{
"id": "jvasp-101468",
"created_at": "2022-09-04T14:38:40.877398Z",
"updated_at": "2022-09-04T14:38:40.877425Z",
"structure_string": "Bi2 Sb2 Te3 Se3\n1.0\n4.202424 -0.023185 19.751461\n2.058244 3.663951 19.751461\n-0.039868 -0.023185 20.193538\nBi Sb Te Se\n2 2 3 3\ndirect\n0.199874 0.199875 0.199875 Bi\n0.695621 0.695625 0.695624 Bi\n0.300649 0.300650 0.300650 Sb\n0.804812 0.804817 0.804816 Sb\n0.392751 0.392753 0.392752 Te\n0.605191 0.605194 0.605193 Te\n0.109154 0.109155 0.109154 Te\n0.997796 0.997802 0.997801 Se\n0.501840 0.501843 0.501843 Se\n0.892292 0.892297 0.892296 Se\n",
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{
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"created_at": "2022-09-04T14:38:33.204609Z",
"updated_at": "2022-09-04T14:38:33.204640Z",
"structure_string": "K2 P4 Au2 S14\n1.0\n3.932615 4.603190 -0.038080\n-3.932614 4.603190 0.038078\n-0.618569 -0.000002 14.994323\nK P Au S\n2 4 2 14\ndirect\n0.245422 0.245422 0.750000 K\n0.754578 0.754578 0.250000 K\n0.647965 0.684449 0.638136 P\n0.684449 0.647966 0.861864 P\n0.352034 0.315551 0.361864 P\n0.315551 0.352035 0.138136 P\n0.000001 0.499999 0.500000 Au\n0.499999 0.000000 0.000000 Au\n0.155979 0.230759 0.029744 S\n0.230759 0.155979 0.470256 S\n0.844021 0.769242 0.970256 S\n0.769242 0.844022 0.529744 S\n0.643567 0.206740 0.115131 S\n0.206740 0.643568 0.384869 S\n0.730500 0.323781 0.845120 S\n0.793260 0.356432 0.615131 S\n0.269500 0.676219 0.154880 S\n0.815211 0.815212 0.750000 S\n0.676220 0.269500 0.345120 S\n0.323781 0.730500 0.654880 S\n0.356432 0.793261 0.884869 S\n0.184788 0.184789 0.250000 S\n",
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{
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"created_at": "2022-09-04T14:38:41.244906Z",
"updated_at": "2022-09-04T14:38:41.244923Z",
"structure_string": "Li4 Mn4 Sn2 O12\n1.0\n5.243717 0.019892 0.000008\n-2.309402 4.707838 -0.000010\n-0.000024 0.000020 10.125854\nLi Mn Sn O\n4 4 2 12\ndirect\n0.102411 0.602410 0.750000 Li\n0.397592 0.897590 0.250000 Li\n0.602410 0.102408 0.750000 Li\n0.897590 0.397590 0.250001 Li\n0.337506 0.662498 -0.000001 Mn\n0.837503 0.162494 0.500000 Mn\n0.162497 0.837505 0.499999 Mn\n0.662495 0.337504 0.000002 Mn\n-0.000002 -0.000002 0.000001 Sn\n0.500003 0.500000 0.500000 Sn\n0.560050 0.196015 0.386328 O\n0.303986 0.939950 0.886328 O\n0.439952 0.803984 0.613672 O\n0.196016 0.560049 0.386327 O\n0.939953 0.303985 0.886327 O\n0.158834 0.158833 0.592397 O\n0.841167 0.841166 0.407603 O\n0.658835 0.658835 0.907603 O\n0.341168 0.341167 0.092398 O\n0.803985 0.439949 0.613673 O\n0.060050 0.696016 0.113673 O\n0.696017 0.060051 0.113672 O\n",
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{
"id": "jvasp-57817",
"created_at": "2022-09-04T14:38:32.915557Z",
"updated_at": "2022-09-04T14:38:32.915579Z",
"structure_string": "Ag2 Bi4 S6 Cl2\n1.0\n0.000000 7.816090 0.019791\n4.026303 0.000000 0.000000\n0.000000 -2.449080 -10.570288\nAg Bi S Cl\n2 4 6 2\ndirect\n0.941323 0.250000 0.591720 Ag\n0.058677 0.749999 0.408280 Ag\n0.462156 0.250000 0.656699 Bi\n0.537844 0.749999 0.343301 Bi\n0.187169 0.749999 0.925231 Bi\n0.812831 0.250000 0.074770 Bi\n0.956583 0.250000 0.851334 S\n0.683721 0.749999 0.587375 S\n0.316279 0.250000 0.412626 S\n0.043418 0.749999 0.148667 S\n0.199273 0.749999 0.661033 S\n0.800727 0.250000 0.338967 S\n0.406409 0.250000 0.101377 Cl\n0.593592 0.749999 0.898623 Cl\n",
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]
}