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{
"id": "jvasp-49610",
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"structure_string": "Mn4 Al4 O14\n1.0\n5.715506 -0.000000 3.299849\n1.905169 5.388630 3.299849\n-0.000000 -0.000000 6.599697\nMn Al O\n4 4 14\ndirect\n0.000000 0.500000 0.000000 Mn\n0.500000 0.000000 -0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 0.500000 Al\n0.000000 0.500000 0.500000 Al\n0.500000 0.500000 -0.000000 Al\n0.500000 0.500000 0.500000 Al\n0.655542 0.094459 0.094459 O\n0.094459 0.094459 0.655542 O\n0.655542 0.655541 0.094459 O\n0.905542 0.344459 0.344459 O\n0.344459 0.905541 0.344459 O\n0.344459 0.344459 0.905542 O\n0.344459 0.905541 0.905542 O\n0.905542 0.344459 0.905542 O\n0.094459 0.655541 0.655542 O\n0.655542 0.094459 0.655542 O\n0.375000 0.375000 0.375000 O\n0.625001 0.625000 0.625000 O\n0.905542 0.905541 0.344459 O\n0.094459 0.655541 0.094459 O\n",
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{
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{
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"updated_at": "2022-09-04T14:38:28.219564Z",
"structure_string": "Li2 Co4 O8\n1.0\n4.663360 0.018911 -1.338592\n0.769985 4.879307 2.751414\n-0.083525 0.050827 5.743169\nLi Co O\n2 4 8\ndirect\n0.000270 0.500036 -0.000050 Li\n0.999730 -0.000014 0.000050 Li\n0.499999 0.249997 0.500000 Co\n0.499999 0.749998 0.499999 Co\n-0.000001 0.000008 0.500000 Co\n-0.000001 0.499989 0.499999 Co\n0.741108 0.894548 0.710891 O\n0.741114 0.394554 0.710898 O\n0.258890 0.105441 0.289108 O\n0.258884 0.605453 0.289101 O\n0.766350 0.352035 0.295930 O\n0.766354 0.852031 0.295938 O\n0.233648 0.147964 0.704069 O\n0.233643 0.647969 0.704061 O\n",
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{
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"created_at": "2022-09-04T14:38:19.175073Z",
"updated_at": "2022-09-04T14:38:19.175090Z",
"structure_string": "Tm1 H3 C3 O6\n1.0\n5.160391 2.979353 1.301921\n-5.160391 2.979353 1.301921\n0.000000 -5.958707 1.301921\nTm H C O\n1 3 3 6\ndirect\n0.001772 0.001772 0.001772 Tm\n0.839069 0.355062 0.355063 H\n0.355062 0.355062 0.839070 H\n0.355062 0.839069 0.355063 H\n0.144976 0.607164 0.607165 C\n0.607164 0.607164 0.144977 C\n0.607164 0.144976 0.607165 C\n0.278657 0.888571 0.888572 O\n0.888571 0.888571 0.278658 O\n0.888571 0.278657 0.888572 O\n0.341600 0.592662 0.592663 O\n0.592663 0.592663 0.341601 O\n0.592662 0.341600 0.592663 O\n",
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{
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"created_at": "2022-09-04T14:37:17.093410Z",
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"structure_string": "Li2 Fe4 O8\n1.0\n4.915843 0.000000 2.838163\n1.638614 4.634701 2.838163\n-0.000000 -0.000000 5.676325\nLi Fe O\n2 4 8\ndirect\n0.125000 0.125000 0.125001 Li\n0.874998 0.874999 0.875002 Li\n0.499997 0.500001 0.500000 Fe\n0.500000 0.000000 0.500000 Fe\n0.000002 0.500001 0.500000 Fe\n0.499997 0.500001 0.000001 Fe\n0.262452 0.262451 0.712646 O\n0.737548 0.737548 0.737548 O\n0.737548 0.737548 0.287356 O\n0.262451 0.712645 0.262451 O\n0.262452 0.262451 0.262452 O\n0.287355 0.737548 0.737551 O\n0.737548 0.287354 0.737549 O\n0.712646 0.262451 0.262452 O\n",
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{
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"created_at": "2022-09-04T14:38:45.293209Z",
"updated_at": "2022-09-04T14:38:45.293229Z",
"structure_string": "Li4 Ti2 Fe6 O16\n1.0\n5.652902 -0.000000 0.000000\n-2.826451 4.895557 0.000000\n-0.000000 -0.000000 9.344248\nLi Ti Fe O\n4 2 6 16\ndirect\n0.333334 0.666667 0.893984 Li\n0.000000 0.000000 0.995946 Li\n0.000000 0.000000 0.495946 Li\n0.666667 0.333334 0.393984 Li\n0.333334 0.666667 0.496101 Ti\n0.666667 0.333334 0.996101 Ti\n0.826420 0.173580 0.715399 Fe\n0.826420 0.652840 0.715399 Fe\n0.347160 0.173580 0.715399 Fe\n0.173580 0.347161 0.215399 Fe\n0.173581 0.826420 0.215399 Fe\n0.652840 0.826420 0.215399 Fe\n0.329940 0.164969 0.100528 O\n0.835031 0.670061 0.100528 O\n0.666667 0.333334 0.602082 O\n0.517462 0.034924 0.837685 O\n0.517462 0.482538 0.837685 O\n0.670060 0.835031 0.600528 O\n0.482538 0.517462 0.337685 O\n0.034924 0.517462 0.337685 O\n0.164969 0.329940 0.600528 O\n0.000000 0.000000 0.806087 O\n0.000000 0.000000 0.306087 O\n0.333334 0.666667 0.102082 O\n0.965076 0.482538 0.837685 O\n0.164970 0.835031 0.600528 O\n0.482538 0.965076 0.337685 O\n0.835030 0.164969 0.100528 O\n",
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{
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"created_at": "2022-09-04T14:38:16.024267Z",
"updated_at": "2022-09-04T14:38:16.024296Z",
"structure_string": "Li2 Fe2 Co2 O8\n1.0\n-2.810225 1.638833 4.656959\n-2.810225 4.936901 -0.007213\n-2.810225 -1.638833 -4.656959\nLi Fe Co O\n2 2 2 8\ndirect\n0.749999 0.124959 0.625039 Li\n0.249999 0.875040 0.374958 Li\n0.500000 0.499999 -0.000001 Fe\n-0.000001 0.500000 0.499999 Fe\n0.500000 -0.000000 -0.000000 Co\n-0.000000 0.500000 -0.000000 Co\n0.525080 0.734291 0.790789 O\n0.974918 0.734290 0.240625 O\n0.974603 0.288389 0.237005 O\n0.525395 0.737599 0.237005 O\n0.474603 0.262401 0.762993 O\n0.025395 0.711610 0.762993 O\n0.025080 0.265709 0.759373 O\n0.474918 0.265708 0.209208 O\n",
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{
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"created_at": "2022-09-04T14:36:45.429767Z",
"updated_at": "2022-09-04T14:36:45.429787Z",
"structure_string": "Cd1 H4 C4 O4\n1.0\n3.681206 -0.157900 -0.354383\n-0.679706 4.499800 -0.854856\n0.192222 -0.371789 7.350947\nCd H C O\n1 4 4 4\ndirect\n0.197647 0.264877 0.269879 Cd\n0.034572 0.030379 0.824683 H\n0.604614 0.049966 0.720683 H\n0.790784 0.479835 0.819058 H\n0.360830 0.499399 0.715046 H\n0.907966 0.797360 0.535477 C\n0.791040 0.892794 0.730965 C\n0.604338 0.636985 0.808778 C\n0.487372 0.732349 0.004260 C\n0.137380 0.989446 0.484979 O\n0.782983 0.525185 0.432911 O\n0.612316 0.004508 0.106870 O\n0.257989 0.540195 0.054710 O\n",
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"structure_string": "Li2 N1\n1.0\n3.468584 0.000000 -0.672126\n0.000000 2.556680 0.000000\n-1.140913 0.000000 3.344907\nLi N\n2 1\ndirect\n-0.200166 0.000000 -0.199706 Li\n0.133511 0.000000 0.466384 Li\n0.466654 0.000000 0.133322 N\n",
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{
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"structure_string": "Tm4 Fe4 B16\n1.0\n3.356732 0.000000 0.000000\n0.000000 5.842891 0.000000\n0.000000 0.000000 11.298376\nTm Fe B\n4 4 16\ndirect\n0.500000 0.372991 0.150225 Tm\n0.500000 0.627009 0.849775 Tm\n0.500000 0.127009 0.650225 Tm\n0.500000 0.872991 0.349775 Tm\n0.500000 0.366238 0.411074 Fe\n0.500000 0.633762 0.588926 Fe\n0.500000 0.133762 0.911074 Fe\n0.500000 0.866238 0.088926 Fe\n-0.000000 0.783916 0.684158 B\n-0.000000 0.216084 0.315843 B\n-0.000000 0.524535 0.308886 B\n-0.000000 0.475465 0.691115 B\n-0.000000 0.975465 0.808886 B\n-0.000000 0.024535 0.191114 B\n-0.000000 0.638124 0.031391 B\n-0.000000 0.611815 0.453621 B\n-0.000000 0.861876 0.531391 B\n-0.000000 0.138124 0.468609 B\n-0.000000 0.283916 0.815843 B\n-0.000000 0.388185 0.546379 B\n-0.000000 0.888185 0.953621 B\n-0.000000 0.111815 0.046379 B\n-0.000000 0.361876 0.968609 B\n-0.000000 0.716084 0.184158 B\n",
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{
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"structure_string": "Be2 Zn2 O4\n1.0\n3.921919 0.000000 -1.753765\n-0.784238 3.842711 -1.753765\n-0.107680 -0.131875 5.021308\nBe Zn O\n2 2 4\ndirect\n0.250004 0.750000 0.500001 Be\n0.000001 0.000004 0.000002 Be\n0.750000 0.249996 0.499998 Zn\n0.499997 0.500000 -0.000002 Zn\n0.124995 0.688494 0.749996 O\n0.938495 0.874995 0.249995 O\n0.311505 0.375000 0.250001 O\n0.625001 0.061504 0.750002 O\n",
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{
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"created_at": "2022-09-04T14:36:32.838489Z",
"updated_at": "2022-09-04T14:36:32.838507Z",
"structure_string": "Zn4 Fe4 O12\n1.0\n0.000000 5.004141 0.000367\n5.063949 0.000000 0.000000\n0.000000 -5.003550 -7.286794\nZn Fe O\n4 4 12\ndirect\n0.254199 0.044863 0.250006 Zn\n0.254198 0.455137 0.750006 Zn\n0.745801 0.544863 0.249993 Zn\n0.745800 0.955137 0.749993 Zn\n0.500000 0.000000 -0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.499999 0.500000 0.500000 Fe\n-0.000000 0.000000 0.500000 Fe\n0.755230 0.188783 0.939343 O\n0.376543 0.311216 0.060660 O\n0.623456 0.688784 0.939339 O\n0.244769 0.811217 0.060656 O\n0.376543 0.188784 0.560660 O\n0.865262 0.944100 0.249996 O\n0.134738 0.444100 0.250003 O\n0.134737 0.055900 0.750003 O\n0.244769 0.688783 0.560656 O\n0.865261 0.555900 0.749996 O\n0.755230 0.311217 0.439344 O\n0.623456 0.811216 0.439339 O\n",
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}
]
}