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{
"id": "jvasp-112051",
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"structure_string": "H8 C13 O2\n1.0\n3.629835 -0.049656 0.334386\n0.340694 5.565503 0.881331\n0.022482 -0.418332 10.631155\nH C O\n8 13 2\ndirect\n0.800537 0.102291 0.817540 H\n0.240807 0.192825 0.442701 H\n0.254908 0.860266 0.611327 H\n0.690863 0.912407 0.171809 H\n0.312179 0.808931 0.843704 H\n0.697672 0.885765 0.407509 H\n0.732051 0.149464 0.585443 H\n0.222409 0.224962 0.208778 H\n0.333845 0.365423 0.253191 C\n0.640268 0.294465 0.641847 C\n0.343121 0.350376 0.384075 C\n0.678927 0.266686 0.771109 C\n0.463635 0.568312 0.179254 C\n0.494882 0.509904 0.581151 C\n0.378578 0.694545 0.655853 C\n0.564033 0.452595 0.844547 C\n0.588753 0.757739 0.233107 C\n0.587911 0.741581 0.364978 C\n0.407816 0.666061 0.786308 C\n0.621167 0.412931 0.981089 C\n0.471059 0.536550 0.442347 C\n0.455487 0.593157 0.046561 O\n0.800646 0.242923 0.030677 O\n",
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{
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{
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{
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"updated_at": "2022-09-04T14:37:04.816636Z",
"structure_string": "Li10 Re2 N8\n1.0\n4.869301 0.000000 0.000000\n0.000000 6.620497 0.000000\n0.000000 0.000000 6.707282\nLi Re N\n10 2 8\ndirect\n0.299753 0.000000 0.000000 Li\n0.245149 0.762440 0.698239 Li\n0.754851 0.262440 0.801760 Li\n0.754851 0.737560 0.198239 Li\n0.754851 0.737560 0.801760 Li\n0.245149 0.237560 0.301760 Li\n0.245149 0.237560 0.698239 Li\n0.245149 0.762440 0.301760 Li\n0.700247 0.500000 0.500000 Li\n0.754851 0.262440 0.198239 Li\n0.277030 0.500000 0.000000 Re\n0.722969 0.000000 0.500000 Re\n0.929994 0.768288 0.500000 N\n0.070006 0.731713 0.000000 N\n0.516966 0.000000 0.730423 N\n0.483034 0.500000 0.230423 N\n0.483034 0.500000 0.769577 N\n0.070006 0.268288 0.000000 N\n0.929994 0.231713 0.500000 N\n0.516966 0.000000 0.269577 N\n",
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{
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"structure_string": "Ba4 Os1 Cl1\n1.0\n-0.000000 4.763890 4.763890\n4.763890 -0.000000 4.763890\n4.763890 4.763890 -0.000000\nBa Os Cl\n4 1 1\ndirect\n0.122398 0.625867 0.625867 Ba\n0.625867 0.625867 0.625867 Ba\n0.625867 0.122398 0.625867 Ba\n0.625867 0.625867 0.122398 Ba\n0.000000 0.000000 0.000000 Os\n0.250000 0.250000 0.250000 Cl\n",
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{
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"created_at": "2022-09-04T14:37:40.344581Z",
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"structure_string": "U4 Si4 Ir4\n1.0\n4.240541 0.000000 0.000000\n-0.000000 6.804853 0.000000\n0.000000 0.000000 7.493432\nU Si Ir\n4 4 4\ndirect\n0.250000 0.492031 0.699725 U\n0.750000 0.507969 0.300275 U\n0.250000 0.992030 0.800275 U\n0.750000 0.007969 0.199725 U\n0.250000 0.316135 0.086106 Si\n0.750000 0.683864 0.913894 Si\n0.250000 0.816135 0.413894 Si\n0.750000 0.183864 0.586106 Si\n0.750000 0.783336 0.587057 Ir\n0.250000 0.216664 0.412943 Ir\n0.750000 0.283336 0.912943 Ir\n0.250000 0.716663 0.087057 Ir\n",
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{
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"created_at": "2022-09-04T14:38:53.764188Z",
"updated_at": "2022-09-04T14:38:53.764220Z",
"structure_string": "Ce2 B8 Rh8\n1.0\n5.358782 0.000000 0.000000\n0.000000 5.358782 0.000000\n0.000000 -0.000000 7.530125\nCe B Rh\n2 8 8\ndirect\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 Ce\n0.500000 0.833437 0.850537 B\n0.333437 0.000000 0.350537 B\n0.666563 0.000000 0.350537 B\n0.500000 0.166563 0.850537 B\n-0.000000 0.333437 0.649462 B\n0.166563 0.500000 0.149462 B\n0.833437 0.500000 0.149462 B\n-0.000000 0.666563 0.649462 B\n0.500000 0.750043 0.145517 Rh\n0.249957 0.500000 0.854483 Rh\n0.750043 0.500000 0.854483 Rh\n-0.000000 0.749956 0.354483 Rh\n-0.000000 0.250043 0.354483 Rh\n0.250043 0.000000 0.645516 Rh\n0.749956 0.000000 0.645516 Rh\n0.500000 0.249957 0.145517 Rh\n",
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{
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"updated_at": "2022-09-04T14:38:52.048930Z",
"structure_string": "Cr8 B12 Os4\n1.0\n2.915490 0.000000 0.000000\n0.000000 4.252037 0.031784\n0.000000 -0.008949 17.443303\nCr B Os\n8 12 4\ndirect\n-0.000000 0.890892 0.604325 Cr\n-0.000000 0.882774 0.274676 Cr\n0.500000 0.395309 0.892757 Cr\n0.500000 0.376499 0.563164 Cr\n0.500000 0.372870 0.235234 Cr\n0.500000 0.113928 0.718111 Cr\n0.500000 0.103625 0.389164 Cr\n0.500000 0.114211 0.064104 Cr\n0.500000 0.603207 0.012155 B\n0.500000 0.604599 0.343140 B\n0.500000 0.611038 0.670966 B\n0.500000 0.897023 0.182914 B\n0.500000 0.898685 0.511806 B\n0.500000 0.910249 0.840480 B\n-0.000000 0.388001 0.990392 B\n-0.000000 0.387095 0.651268 B\n-0.000000 0.108599 0.159964 B\n-0.000000 0.110644 0.488272 B\n-0.000000 0.128142 0.819036 B\n-0.000000 0.380342 0.323146 B\n-0.000000 0.601247 0.114359 Os\n-0.000000 0.617147 0.768232 Os\n-0.000000 0.603755 0.441381 Os\n-0.000000 0.900120 0.940949 Os\n",
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{
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"structure_string": "Li6 Nb2 V4 O12\n1.0\n5.175595 0.002280 -2.455339\n2.118700 6.260053 1.055215\n0.097084 0.185265 6.690330\nLi Nb V O\n6 2 4 12\ndirect\n0.750010 0.333310 0.166675 Li\n0.250004 0.333335 0.166669 Li\n0.758208 0.982661 0.495240 Li\n0.240604 0.997845 0.491347 Li\n0.741783 0.683990 0.838128 Li\n0.259381 0.668822 0.841982 Li\n0.474378 0.342346 0.658657 Nb\n0.025618 0.324325 0.674668 Nb\n0.467237 0.008267 -0.005600 V\n0.455836 0.688246 0.312524 V\n0.044162 0.978425 0.020806 V\n0.032766 0.658405 0.338932 V\n0.876785 0.313889 0.913801 O\n0.641457 0.006675 0.781483 O\n0.113996 -0.013126 0.745258 O\n0.858544 0.659995 0.551846 O\n0.386006 0.679797 0.588070 O\n0.627992 0.687138 0.103734 O\n0.112210 0.664363 0.072958 O\n0.872010 0.979531 0.229598 O\n0.387792 0.002305 0.260368 O\n0.623212 0.352782 0.419528 O\n0.105297 0.330776 0.390174 O\n0.394701 0.335896 0.943155 O\n",
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{
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"created_at": "2022-09-04T14:37:29.897005Z",
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]
}