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{
"id": "jvasp-36150",
"created_at": "2022-09-04T14:37:17.550276Z",
"updated_at": "2022-09-04T14:37:17.550298Z",
"structure_string": "Fe2 B2\n1.0\n-2.898806 0.000000 0.000000\n0.000000 0.000000 -2.955395\n-1.449403 -3.741262 0.000000\nFe B\n2 2\ndirect\n0.142228 0.750001 0.715543 Fe\n0.857773 0.250000 0.284456 Fe\n0.430391 0.750001 0.139218 B\n0.569610 0.250000 0.860781 B\n",
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{
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"structure_string": "H1 C1 N1 O1\n1.0\n3.295876 0.000000 -0.877171\n0.000000 2.410179 0.000000\n-0.155816 0.000000 4.076745\nH C N O\n1 1 1 1\ndirect\n0.195733 0.000000 0.166954 H\n0.579067 0.500000 0.564964 C\n0.421213 0.000000 0.400488 N\n0.848047 0.500000 0.841633 O\n",
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{
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"structure_string": "Li2 O1\n1.0\n2.870313 0.099003 1.499521\n0.951634 2.709777 1.499521\n0.134715 0.099003 3.235601\nLi O\n2 1\ndirect\n0.749991 0.749993 0.749995 Li\n0.250005 0.250006 0.250007 Li\n0.000000 0.000000 0.000000 O\n",
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{
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"structure_string": "Si2 O4\n1.0\n4.218921 -0.000000 0.000000\n-0.000000 4.218921 0.000000\n0.000000 0.000000 2.702930\nSi O\n2 4\ndirect\n0.500000 0.500000 0.500000 Si\n0.000000 0.000000 0.000000 Si\n0.694033 0.694033 0.000000 O\n0.194034 0.805966 0.500000 O\n0.305966 0.305966 0.000000 O\n0.805966 0.194034 0.500000 O\n",
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"spacegroup": 136
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{
"id": "jvasp-25290",
"created_at": "2022-09-04T14:37:51.628206Z",
"updated_at": "2022-09-04T14:37:51.628226Z",
"structure_string": "B12\n1.0\n6.375829 1.562720 7.431867\n-1.054257 1.414903 2.341497\n-4.229890 -3.668154 -1.522701\nB\n12\ndirect\n0.603371 0.034725 0.212157 B\n0.011481 0.860047 0.087263 B\n0.981803 0.309685 0.897493 B\n0.387106 0.128289 0.750396 B\n0.188852 0.576979 0.053840 B\n0.753891 0.408777 0.411895 B\n0.741346 0.038555 0.634499 B\n0.474947 0.336969 0.430871 B\n0.046711 0.099462 0.671598 B\n0.157261 0.860041 0.524465 B\n0.451229 0.925100 0.536106 B\n0.218010 0.398324 0.783283 B\n",
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{
"id": "jvasp-43151",
"created_at": "2022-09-04T14:36:47.556148Z",
"updated_at": "2022-09-04T14:36:47.556166Z",
"structure_string": "Li6 Si2 Ni2 O10\n1.0\n4.964600 0.022366 -0.006667\n1.528357 5.300212 0.000742\n1.734559 0.987828 6.104321\nLi Si Ni O\n6 2 2 10\ndirect\n0.486925 0.252855 0.004562 Li\n0.301921 0.448544 0.404114 Li\n0.294758 0.950561 0.405343 Li\n0.705243 0.049440 0.594656 Li\n0.698080 0.551457 0.595885 Li\n0.513076 0.747146 0.995437 Li\n0.901854 0.845313 0.219773 Si\n0.098147 0.154688 0.780226 Si\n0.099815 0.651577 0.793485 Ni\n0.900186 0.348424 0.206514 Ni\n0.358146 0.340251 0.719162 O\n0.639382 0.129633 0.279962 O\n0.641855 0.659749 0.280837 O\n0.157024 0.052823 0.093264 O\n0.996263 0.761115 0.467894 O\n0.161423 0.568492 0.112344 O\n0.838578 0.431509 0.887655 O\n0.003738 0.238886 0.532105 O\n0.842977 0.947178 0.906735 O\n0.360619 0.870368 0.720037 O\n",
"nsites": 20,
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"elements": [
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],
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"volume": 160.4645907672561,
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{
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"created_at": "2022-09-04T14:36:58.182500Z",
"updated_at": "2022-09-04T14:36:58.182521Z",
"structure_string": "Ga4 H4 O8\n1.0\n4.936767 3.003788 0.000000\n0.000000 3.003788 4.329277\n4.936767 0.000000 4.329277\nGa H O\n4 4 8\ndirect\n0.072704 0.072704 0.677297 Ga\n0.590423 0.590423 0.159577 Ga\n0.840423 0.840423 0.409577 Ga\n0.322704 0.322704 0.927297 Ga\n0.571232 0.092210 0.192104 H\n0.807897 0.355546 0.428769 H\n0.092210 0.571232 0.644454 H\n0.355546 0.807897 0.907791 H\n0.035139 0.625772 -0.138800 O\n0.625772 0.035139 0.977891 O\n0.138800 0.022110 0.964862 O\n0.022110 0.138800 0.374229 O\n0.533743 0.131252 0.356134 O\n0.643867 0.521129 0.466258 O\n0.131252 0.533743 0.478871 O\n0.521129 0.643867 -0.131252 O\n",
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"formula_full": "Ga4 H4 O8",
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{
"id": "jvasp-92328",
"created_at": "2022-09-04T14:36:07.670550Z",
"updated_at": "2022-09-04T14:36:07.670562Z",
"structure_string": "H2 C2 S1\n1.0\n2.844779 -0.000000 0.000000\n-1.422389 2.463651 0.000000\n0.000000 -0.000000 5.725831\nH C S\n2 2 1\ndirect\n0.666668 0.333333 0.640948 H\n0.333333 0.666665 0.359052 H\n0.333333 0.666665 0.166993 C\n0.666668 0.333333 0.833005 C\n0.000000 0.000000 0.000000 S\n",
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{
"id": "jvasp-112185",
"created_at": "2022-09-04T14:38:45.896689Z",
"updated_at": "2022-09-04T14:38:45.896707Z",
"structure_string": "Cd1 H18 C11 O4\n1.0\n3.858700 -0.028515 0.387548\n1.640046 4.159224 0.499010\n0.177804 -0.021064 16.977612\nCd H C O\n1 18 11 4\ndirect\n0.117390 -0.019451 0.847087 Cd\n0.694000 0.683653 0.501603 H\n0.677231 0.178666 0.580595 H\n0.350768 0.419378 0.128432 H\n0.813674 0.253939 0.272172 H\n0.326674 0.384420 0.274496 H\n0.760761 0.212801 0.425714 H\n0.275144 0.344789 0.423798 H\n0.209205 0.822677 0.497326 H\n0.838559 0.297600 0.119484 H\n0.823569 0.160673 0.005814 H\n0.396643 0.980175 0.047915 H\n0.799780 0.765565 0.191856 H\n0.311468 0.901229 0.196674 H\n0.761645 0.722988 0.347153 H\n0.274708 0.860469 0.347302 H\n0.585799 0.659684 0.656413 H\n0.110279 0.799742 0.644627 H\n0.194783 0.309008 0.573249 H\n0.693648 0.624570 0.972230 C\n0.560373 0.725601 0.045421 C\n0.581120 0.512144 0.121094 C\n0.563765 0.682507 0.195571 C\n0.559366 0.471090 0.272581 C\n0.423984 0.395048 0.576058 C\n0.507226 0.430494 0.424349 C\n0.459429 0.602205 0.499827 C\n0.356908 0.578600 0.650104 C\n0.288060 0.396859 0.727147 C\n0.526121 0.640823 0.347752 C\n0.886882 0.297511 0.961713 O\n0.352850 0.460593 0.794359 O\n0.158174 0.176610 0.722521 O\n0.668644 0.804019 0.904315 O\n",
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{
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"created_at": "2022-09-04T14:36:19.629703Z",
"updated_at": "2022-09-04T14:36:19.629727Z",
"structure_string": "Li5 Fe4 O8\n1.0\n5.806513 0.046803 0.033175\n2.915928 5.021468 0.033175\n2.915928 1.694332 4.727101\nLi Fe O\n5 4 8\ndirect\n0.964777 0.553519 0.964778 Li\n0.964777 0.964776 0.553523 Li\n0.128180 0.128180 0.128180 Li\n0.553521 0.964776 0.964778 Li\n0.487206 0.487205 0.487207 Li\n0.491018 0.986577 0.491020 Fe\n0.491018 0.491017 0.986579 Fe\n0.981117 0.981116 0.981119 Fe\n0.986578 0.491017 0.491020 Fe\n0.745111 0.745111 0.250151 O\n0.251990 0.251989 0.251990 O\n0.227053 0.227052 0.737250 O\n0.227053 0.737249 0.227054 O\n0.737249 0.227052 0.227054 O\n0.250150 0.745111 0.745112 O\n0.745111 0.250149 0.745112 O\n0.731781 0.731780 0.731783 O\n",
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{
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"structure_string": "Fe2 B4 O8\n1.0\n2.778344 4.828477 0.021008\n-2.778344 4.828477 0.021008\n0.000000 1.449815 4.198071\nFe B O\n2 4 8\ndirect\n0.371532 0.628470 0.750000 Fe\n0.628469 0.371531 0.250001 Fe\n0.921970 0.709525 0.370989 B\n0.290476 0.078030 0.129012 B\n0.078031 0.290476 0.629012 B\n0.709525 0.921971 0.870989 B\n0.497827 0.799706 0.020833 O\n0.200295 0.502173 0.479168 O\n0.502174 0.200295 0.979168 O\n0.799706 0.497828 0.520833 O\n0.953579 0.772338 0.027248 O\n0.227662 0.046421 0.472753 O\n0.046422 0.227663 0.972752 O\n0.772339 0.953580 0.527248 O\n",
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"structure_string": "Fe4 B4\n1.0\n2.933552 0.000000 -0.000000\n-0.000000 2.933552 -0.000000\n-1.466776 -1.466776 7.469224\nFe B\n4 4\ndirect\n0.678949 0.928949 0.357900 Fe\n0.928948 0.678948 0.857900 Fe\n0.321049 0.071049 0.642099 Fe\n0.071050 0.321049 0.142100 Fe\n0.215281 0.465282 0.430564 B\n0.465281 0.215280 0.930564 B\n0.784716 0.534716 0.569435 B\n0.534717 0.784717 0.069436 B\n",
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}