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{
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"structure_string": "Mg2 V4 O8\n1.0\n2.824079 0.000000 0.000000\n-1.412040 4.813025 -0.000000\n0.000000 -0.000000 9.871465\nMg V O\n2 4 8\ndirect\n0.382432 0.764865 0.750000 Mg\n0.617568 0.235136 0.250000 Mg\n0.869332 0.738664 0.072532 V\n0.130669 0.261337 0.927469 V\n0.869332 0.738664 0.427469 V\n0.130669 0.261337 0.572532 V\n0.225165 0.450331 0.383443 O\n0.774835 0.549670 0.616558 O\n0.774835 0.549670 0.883443 O\n0.225165 0.450331 0.116557 O\n0.961536 0.923073 0.250000 O\n0.038465 0.076928 0.750000 O\n0.500000 0.000000 0.000000 O\n0.500000 0.000000 0.500000 O\n",
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{
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"structure_string": "Mg1 B2\n1.0\n1.536745 -2.661721 -0.000000\n1.536745 2.661721 0.000000\n-0.000000 -0.000000 3.514640\nMg B\n1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.666668 0.333335 0.500000 B\n0.333335 0.666668 0.500000 B\n",
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{
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"structure_string": "P4 H12 O16\n1.0\n5.678859 0.000000 -0.492509\n0.000000 4.763086 0.000000\n0.061770 0.000000 11.333883\nP H O\n4 12 16\ndirect\n0.215527 0.185568 0.638710 P\n0.800303 0.685617 0.863827 P\n0.800303 0.814385 0.363827 P\n0.215527 0.314433 0.138710 P\n0.532975 0.147016 0.325392 H\n0.532975 0.352985 0.825391 H\n0.482851 0.852955 0.677109 H\n0.864526 0.486474 0.173895 H\n0.151294 0.986469 0.328658 H\n0.482851 0.647046 0.177110 H\n0.864525 0.013527 0.673894 H\n0.283336 0.933299 0.040618 H\n0.732515 0.433237 0.461909 H\n0.732515 0.066764 -0.038091 H\n0.283336 0.566702 0.540618 H\n0.151294 0.513532 0.828657 H\n0.688621 0.387287 0.876573 O\n0.327188 0.887227 0.625947 O\n0.296964 0.181910 0.256564 O\n0.718874 0.681861 0.245974 O\n0.718874 0.818140 0.745974 O\n0.296964 0.318090 0.756563 O\n0.943476 0.346962 0.120515 O\n0.943476 0.153038 0.620515 O\n0.072356 0.653068 0.882023 O\n0.285784 0.140229 0.029538 O\n0.730056 0.640166 0.472996 O\n0.730056 0.859836 0.972996 O\n0.285784 0.359771 0.529537 O\n0.688621 0.112713 0.376573 O\n0.072356 0.846933 0.382023 O\n0.327188 0.612775 0.125947 O\n",
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{
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"structure_string": "Sc2 B4\n1.0\n3.752197 0.000000 2.166332\n1.250733 3.537605 2.166332\n-0.000000 0.000000 4.332663\nSc B\n2 4\ndirect\n0.875001 0.874999 0.874999 Sc\n0.125000 0.125000 0.125000 Sc\n0.500000 -0.000000 0.499999 B\n-0.000000 0.499999 0.500000 B\n0.500000 0.499999 0.499999 B\n0.500000 0.499999 -0.000000 B\n",
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{
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"created_at": "2022-09-04T14:36:36.357730Z",
"updated_at": "2022-09-04T14:36:36.357762Z",
"structure_string": "Li4 Nb2 Co6 O16\n1.0\n5.758586 0.000112 -0.000151\n-2.879197 4.986915 0.000303\n0.000194 -0.000339 9.345869\nLi Nb Co O\n4 2 6 16\ndirect\n0.333302 0.666666 0.896365 Li\n0.999857 0.999945 0.996939 Li\n0.000142 0.000087 0.496939 Li\n0.666697 0.333363 0.396365 Li\n0.333433 0.666729 0.495433 Nb\n0.666567 0.333296 0.995433 Nb\n0.831211 0.168905 0.715370 Co\n0.831211 0.662327 0.715370 Co\n0.337795 0.168908 0.715370 Co\n0.168789 0.337693 0.215370 Co\n0.168788 0.831116 0.215370 Co\n0.662204 0.831114 0.215370 Co\n0.325898 0.162957 0.099472 O\n0.836927 0.673953 0.099505 O\n0.666734 0.333379 0.611919 O\n0.517762 0.035413 0.833266 O\n0.517759 0.482367 0.833267 O\n0.674102 0.837061 0.599472 O\n0.482237 0.517652 0.333266 O\n0.035397 0.517704 0.333294 O\n0.163079 0.326072 0.599509 O\n0.000081 0.000049 0.808840 O\n-0.000082 -0.000033 0.308840 O\n0.333266 0.666646 0.111918 O\n0.964603 0.482306 0.833294 O\n0.163073 0.837027 0.599505 O\n0.482240 0.964608 0.333267 O\n0.836921 0.162992 0.099509 O\n",
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"created_at": "2022-09-04T14:36:55.460661Z",
"updated_at": "2022-09-04T14:36:55.460692Z",
"structure_string": "H4 C6 O6\n1.0\n4.333065 -0.041665 0.362048\n1.959383 4.754148 0.092174\n-0.133873 0.148509 7.402300\nH C O\n4 6 6\ndirect\n0.888828 0.663658 0.064679 H\n0.388840 0.163666 0.564675 H\n0.577871 0.558909 0.172931 H\n0.077889 0.058905 0.672923 H\n0.699031 0.710829 0.177990 C\n0.199044 0.210828 0.677986 C\n0.456279 0.002537 0.145176 C\n0.956284 0.502535 0.645177 C\n0.367596 0.198771 0.850881 C\n0.867583 0.698774 0.350883 C\n0.306789 0.018997 0.978129 O\n0.806786 0.518997 0.478132 O\n0.389008 0.205694 0.239053 O\n0.889017 0.705690 0.739055 O\n0.543172 0.328669 0.876473 O\n0.043158 0.828679 0.376474 O\n",
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"structure_string": "Fe22 B6 W1\n1.0\n6.344248 -0.000000 3.662854\n-4.229499 5.981415 0.000000\n-0.000000 -0.000000 7.325707\nFe B W\n22 6 1\ndirect\n0.000000 0.000000 0.000000 Fe\n0.500000 0.250000 0.250000 Fe\n0.231605 0.615802 0.615803 Fe\n0.768395 0.152592 0.615802 Fe\n0.768394 0.615802 0.615802 Fe\n0.231605 0.615802 0.152592 Fe\n0.751336 0.375668 0.375668 Fe\n0.248663 0.872995 0.375668 Fe\n0.751336 0.375668 0.872996 Fe\n0.339059 0.338140 0.000919 Fe\n0.339059 0.000919 0.000919 Fe\n0.248664 0.375668 0.375668 Fe\n0.660941 0.660021 0.000919 Fe\n0.001838 0.000919 0.660022 Fe\n0.001838 0.000919 0.338140 Fe\n0.339059 0.000919 0.660022 Fe\n-0.001838 0.338140 0.000919 Fe\n0.339059 0.338140 0.660022 Fe\n0.660941 0.000919 0.338140 Fe\n-0.001838 0.660021 0.000920 Fe\n0.660941 0.660021 0.338140 Fe\n0.660941 0.000919 0.000919 Fe\n-0.000001 0.724898 0.275101 B\n0.550203 0.275101 0.724899 B\n-0.000001 0.724898 0.724899 B\n-0.000000 0.275101 0.724899 B\n0.449796 0.724898 0.275101 B\n-0.000000 0.275101 0.275101 B\n0.500000 0.749999 0.750000 W\n",
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"structure_string": "Mn4 O6\n1.0\n4.931075 -0.180877 -0.220360\n2.699089 3.553886 2.117273\n0.244049 0.060572 5.353566\nMn O\n4 6\ndirect\n0.653474 0.692988 0.960474 Mn\n0.346529 0.307008 0.039530 Mn\n0.153490 0.692959 0.460488 Mn\n0.846509 0.307045 0.539508 Mn\n0.560506 0.500052 0.749951 O\n0.749998 0.810529 0.249948 O\n0.060465 0.189512 0.250012 O\n0.939538 0.810486 0.749988 O\n0.250005 0.189473 0.750052 O\n0.439493 0.499948 0.250049 O\n",
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"structure_string": "Li2 V2 Co2 O8\n1.0\n-2.869840 1.603264 4.695604\n-2.869840 4.961480 -0.053629\n-2.869840 -1.603264 -4.695604\nLi V Co O\n2 2 2 8\ndirect\n0.750000 0.122519 0.627481 Li\n0.250000 0.877482 0.372518 Li\n0.500000 0.500000 0.000000 V\n-0.000000 0.500000 0.500000 V\n0.500000 -0.000000 0.000000 Co\n-0.000000 0.500000 -0.000000 Co\n0.526686 0.738674 0.788010 O\n0.973314 0.738674 0.234641 O\n0.976855 0.282607 0.240536 O\n0.523144 0.736320 0.240536 O\n0.476855 0.263680 0.759464 O\n0.023144 0.717393 0.759464 O\n0.026686 0.261326 0.765359 O\n0.473314 0.261326 0.211989 O\n",
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]
}