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{
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{
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{
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"structure_string": "Au4 Cl12\n1.0\n0.000000 6.453787 -0.110920\n11.011806 0.000000 0.000000\n0.000000 -2.708967 -5.867278\nAu Cl\n4 12\ndirect\n0.261255 0.588258 0.960686 Au\n0.238745 0.088258 0.039314 Au\n0.738745 0.411742 0.039314 Au\n0.761255 0.911742 0.960686 Au\n0.105138 0.659545 0.198300 Cl\n0.394862 0.159545 0.801701 Cl\n0.894862 0.340456 0.801701 Cl\n0.605138 0.840456 0.198300 Cl\n0.938923 0.993285 0.733488 Cl\n0.561077 0.493285 0.266513 Cl\n0.061077 0.006715 0.266513 Cl\n0.438923 0.506716 0.733488 Cl\n0.476031 0.826508 0.657598 Cl\n0.023969 0.326508 0.342402 Cl\n0.523969 0.173492 0.342402 Cl\n-0.023969 0.673493 0.657598 Cl\n",
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{
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"updated_at": "2022-09-04T14:36:21.227783Z",
"structure_string": "Li8 Si8\n1.0\n5.070572 0.000000 2.202471\n2.535286 7.323142 1.101235\n-0.382274 0.000000 7.818099\nLi Si\n8 8\ndirect\n0.672938 0.154251 0.000882 Li\n0.828072 0.345749 0.499118 Li\n0.326180 0.500882 0.845749 Li\n0.327063 0.845749 0.999118 Li\n0.171930 0.654251 0.500882 Li\n0.327189 0.000882 0.345749 Li\n0.673821 0.499118 0.154251 Li\n0.672812 0.999118 0.654251 Li\n0.328221 0.300170 0.581311 Si\n0.909532 0.918689 0.300170 Si\n0.671780 0.699830 0.418689 Si\n0.209702 0.199830 0.918689 Si\n0.128391 0.581311 0.199830 Si\n0.090469 0.081311 0.699830 Si\n0.871610 0.418689 0.800170 Si\n0.790299 0.800170 0.081311 Si\n",
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{
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"structure_string": "Mg2 Ti4 O10\n1.0\n0.000000 4.829735 -0.001315\n3.393641 0.000000 0.000000\n0.000000 0.001209 -11.968433\nMg Ti O\n2 4 10\ndirect\n0.123210 0.250000 0.249934 Mg\n0.876791 0.750000 0.750066 Mg\n0.588343 0.750000 0.102996 Ti\n0.411658 0.250000 0.897004 Ti\n0.411801 0.250000 0.603040 Ti\n0.588200 0.750000 0.396960 Ti\n0.575525 0.250000 0.750017 O\n0.424476 0.750000 0.249982 O\n0.424149 0.250000 0.072658 O\n0.575852 0.750000 0.927341 O\n0.424068 0.250000 0.427371 O\n0.575933 0.750000 0.572628 O\n0.935830 0.750000 0.359222 O\n0.064171 0.250000 0.640777 O\n0.064037 0.250000 0.859353 O\n0.935965 0.750000 0.140647 O\n",
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{
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"created_at": "2022-09-04T14:36:22.118111Z",
"updated_at": "2022-09-04T14:36:22.118136Z",
"structure_string": "C4 S4 Cl8\n1.0\n5.920358 0.000000 0.000000\n0.000000 6.290294 -0.956849\n0.000000 -0.007342 9.236641\nC S Cl\n4 4 8\ndirect\n0.413824 0.670629 0.549963 C\n0.586176 0.329370 0.450037 C\n0.913824 0.329371 0.950037 C\n0.086176 0.670629 0.049963 C\n0.566397 0.582560 0.379171 S\n0.433603 0.417440 0.620829 S\n0.933603 0.582560 0.879171 S\n0.066397 0.417440 0.120829 S\n0.947971 0.884423 0.166595 Cl\n0.630010 0.247125 0.978297 Cl\n0.052029 0.115576 0.833405 Cl\n0.130010 0.752874 0.521703 Cl\n0.447971 0.115576 0.333405 Cl\n0.869991 0.247125 0.478297 Cl\n0.369990 0.752874 0.021703 Cl\n0.552029 0.884424 0.666595 Cl\n",
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{
"id": "jvasp-62314",
"created_at": "2022-09-04T14:36:16.474926Z",
"updated_at": "2022-09-04T14:36:16.474954Z",
"structure_string": "K10 Cu2 As4\n1.0\n2.849733 -4.936913 -0.000000\n2.849733 4.936913 0.000000\n0.000000 -0.000000 18.791587\nK Cu As\n10 2 4\ndirect\n0.333355 0.666644 0.549905 K\n0.666644 0.333355 0.049905 K\n0.666644 0.333355 0.450095 K\n0.333355 0.666644 0.950095 K\n0.999984 0.000015 0.146461 K\n0.000015 0.999984 0.646461 K\n0.000015 0.999984 0.853539 K\n0.999984 0.000015 0.353539 K\n0.333275 0.666724 0.750000 K\n0.666724 0.333275 0.250000 K\n0.333388 0.666610 0.250000 Cu\n0.666610 0.333388 0.750000 Cu\n0.333305 0.666694 0.374544 As\n0.666694 0.333305 0.874544 As\n0.666694 0.333305 0.625456 As\n0.333305 0.666694 0.125456 As\n",
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{
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"updated_at": "2022-09-04T14:36:37.042359Z",
"structure_string": "Ga12 Fe4\n1.0\n6.255060 0.001282 0.001943\n-0.001267 6.255066 0.002376\n-0.002030 -0.002483 6.575709\nGa Fe\n12 4\ndirect\n0.345038 0.654975 0.237075 Ga\n0.845008 0.845027 0.262943 Ga\n0.654994 0.344991 0.762970 Ga\n0.655037 0.344974 0.237000 Ga\n0.000025 0.500040 0.999996 Ga\n0.154967 0.155004 0.737056 Ga\n0.499988 0.000016 0.500003 Ga\n0.844978 0.844987 0.737012 Ga\n0.344999 0.654999 0.762972 Ga\n0.155019 0.155014 0.262988 Ga\n0.999956 0.500010 0.499982 Ga\n0.499982 -0.000016 0.999998 Ga\n0.842578 0.157415 0.500000 Fe\n0.157416 0.842577 0.500006 Fe\n0.657426 0.657414 1.000000 Fe\n0.342588 0.342576 0.000003 Fe\n",
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{
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"structure_string": "K2 Fe1 Cu1 C6 N6\n1.0\n6.188275 0.093253 -3.180936\n-1.783955 5.718297 -3.298190\n0.076883 -0.043608 6.969543\nK Fe Cu C N\n2 1 1 6 6\ndirect\n0.211010 0.743700 0.488301 K\n0.788987 0.256300 0.511697 K\n0.500000 0.500001 0.000000 Fe\n0.000002 0.999999 0.000001 Cu\n0.719759 0.721548 0.067181 C\n0.280241 0.278451 0.932817 C\n0.409381 0.323778 0.646497 C\n0.719434 0.345245 0.066295 C\n0.590620 0.676223 0.353504 C\n0.280566 0.654755 0.933703 C\n0.645899 0.785041 0.571895 N\n0.129302 0.144226 0.878364 N\n0.129767 0.734710 0.879693 N\n0.870233 0.265287 0.120304 N\n0.870697 0.855773 0.121633 N\n0.354098 0.214960 0.428105 N\n",
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"structure_string": "Cu4 Hg4 Se4 Br4\n1.0\n4.328943 0.000000 0.000000\n0.000000 9.806193 0.000000\n0.000000 -0.000000 10.036397\nCu Hg Se Br\n4 4 4 4\ndirect\n0.000000 0.216396 0.107811 Cu\n0.000000 0.216396 0.392189 Cu\n0.000000 0.783603 0.607811 Cu\n0.000000 0.783603 0.892189 Cu\n0.500000 0.784143 0.250000 Hg\n0.500000 0.500000 0.500000 Hg\n0.500000 0.215857 0.750000 Hg\n0.500000 0.500000 0.000000 Hg\n0.500000 0.759412 0.503833 Se\n0.500000 0.240587 0.496167 Se\n0.500000 0.759412 -0.003833 Se\n0.500000 0.240587 0.003833 Se\n0.000000 0.987624 0.750000 Br\n0.000000 0.012375 0.250000 Br\n0.000000 0.553478 0.750000 Br\n0.000000 0.446522 0.250000 Br\n",
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"structure_string": "Sr2 H8 O6\n1.0\n0.000000 3.678891 -0.005700\n6.658348 0.000000 0.000000\n0.000000 -0.009845 -6.161913\nSr H O\n2 8 6\ndirect\n0.999957 0.750852 0.370886 Sr\n0.000044 0.250852 0.629113 Sr\n0.789079 0.828319 0.878752 H\n0.210698 0.828369 0.878838 H\n0.210922 0.328319 0.121247 H\n0.789303 0.328369 0.121161 H\n0.499681 0.596848 0.031435 H\n0.500320 0.096848 0.968565 H\n0.500009 0.601601 0.706157 H\n0.499992 0.101601 0.293843 H\n0.999907 0.876514 0.785785 O\n0.000094 0.376514 0.214214 O\n0.499895 0.741740 0.057655 O\n0.500106 0.241740 0.942345 O\n0.499994 0.535360 0.564538 O\n0.500007 0.035360 0.435461 O\n",
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]
}