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{
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"created_at": "2022-09-04T14:39:09.320180Z",
"structure_string": "Li4 B4 H16\n1.0\n4.402347 0.000000 0.000000\n0.000000 5.837298 0.000000\n0.000000 0.000000 8.613664\nLi B H\n4 4 16\ndirect\n0.750000 0.919260 0.855891 Li\n0.750000 0.580740 0.355891 Li\n0.250000 0.080740 0.144109 Li\n0.250000 0.419260 0.644109 Li\n0.250000 0.348573 0.363743 B\n0.250000 0.151427 0.863743 B\n0.750000 0.651427 0.636257 B\n0.750000 0.848573 0.136257 B\n0.476691 0.318497 0.283216 H\n0.023309 0.181503 0.783216 H\n0.976691 0.681503 0.716784 H\n0.523309 0.818497 0.216784 H\n0.523309 0.681503 0.716784 H\n0.976691 0.818497 0.216784 H\n0.023309 0.318497 0.283216 H\n0.476691 0.181503 0.783216 H\n0.250000 0.208717 0.469452 H\n0.250000 0.291283 0.969452 H\n0.750000 0.791283 0.530548 H\n0.750000 0.708717 0.030548 H\n0.250000 0.547448 0.410959 H\n0.250000 0.952552 0.910959 H\n0.750000 0.452552 0.589041 H\n0.750000 0.047448 0.089041 H\n",
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{
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"structure_string": "Li2 Ni4 P6 O24\n1.0\n2.637123 4.052031 0.000000\n-2.637123 4.052031 0.000000\n0.000000 0.186578 19.298227\nLi Ni P O\n2 4 6 24\ndirect\n0.999703 0.999703 0.333610 Li\n0.000297 0.000297 0.666390 Li\n0.000000 0.000000 0.000000 Ni\n0.001614 0.001614 0.833717 Ni\n0.998386 0.998386 0.166283 Ni\n0.000000 0.000000 0.500000 Ni\n0.645804 0.645804 0.083386 P\n0.643438 0.643438 0.418677 P\n0.355470 0.355470 0.247962 P\n0.356562 0.356562 0.581323 P\n0.354196 0.354196 0.916614 P\n0.644530 0.644530 0.752038 P\n0.256385 0.256385 0.316816 O\n0.774131 0.296940 0.754083 O\n0.753308 0.753308 0.016488 O\n0.705086 0.222648 0.916849 O\n0.772208 0.295560 0.420205 O\n0.703060 0.225869 0.245917 O\n0.295560 0.772208 0.420205 O\n0.777352 0.294914 0.083151 O\n0.744089 0.744089 0.350248 O\n0.743615 0.743615 0.683184 O\n0.749662 0.749662 0.150375 O\n0.296940 0.774131 0.754083 O\n0.250338 0.250338 0.849625 O\n0.222648 0.705086 0.916849 O\n0.225869 0.703060 0.245917 O\n0.246996 0.246996 0.515212 O\n0.227792 0.704440 0.579795 O\n0.755442 0.755442 0.817716 O\n0.246692 0.246692 0.983512 O\n0.704440 0.227792 0.579795 O\n0.255911 0.255911 0.649752 O\n0.244558 0.244558 0.182284 O\n0.294914 0.777352 0.083151 O\n0.753004 0.753004 0.484788 O\n",
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{
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{
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{
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"structure_string": "Li14 Co9 P16 O56\n1.0\n9.625861 0.000000 0.000000\n-3.196103 10.261581 0.000000\n-1.401109 -5.845773 11.012499\nLi Co P O\n14 9 16 56\ndirect\n0.928050 0.137339 0.402559 Li\n0.434026 0.126045 0.915300 Li\n0.453868 0.626176 0.409161 Li\n0.546132 0.373824 0.590839 Li\n0.643996 0.021288 0.603120 Li\n0.071950 0.862661 0.597441 Li\n0.356004 0.978712 0.396880 Li\n0.867400 0.497222 0.683797 Li\n0.632938 0.514158 0.826469 Li\n0.955426 0.621910 0.910543 Li\n0.367062 0.485842 0.173531 Li\n0.044574 0.378090 0.089457 Li\n0.132600 0.502778 0.316203 Li\n0.565974 0.873955 0.084700 Li\n0.435377 0.744962 0.695800 Co\n0.071531 0.264262 0.798068 Co\n0.200486 0.217648 0.583105 Co\n0.928469 0.735738 0.201932 Co\n0.564623 0.255038 0.304200 Co\n0.799514 0.782352 0.416895 Co\n0.300909 0.780133 0.921410 Co\n0.000000 0.000000 0.000000 Co\n0.699091 0.219867 0.078590 Co\n0.638321 0.700902 0.985021 P\n0.231393 0.208131 0.340298 P\n0.196141 0.538911 0.867241 P\n0.968562 0.052823 0.223015 P\n0.263793 0.798275 0.156073 P\n0.361679 0.299098 0.014979 P\n0.469029 0.050175 0.726842 P\n0.530971 0.949825 0.273158 P\n0.031438 0.947177 0.776985 P\n0.803859 0.461089 0.132759 P\n0.864765 0.300562 0.514534 P\n0.135235 0.699438 0.485466 P\n0.736207 0.201725 0.843927 P\n0.308442 0.464356 0.632112 P\n0.691558 0.535644 0.367888 P\n0.768607 0.791869 0.659702 P\n0.158192 0.539863 0.975257 O\n0.652773 0.092099 0.774062 O\n0.901046 0.176637 0.894767 O\n0.213030 0.205050 0.977821 O\n0.347227 0.907901 0.225938 O\n0.007461 0.716621 0.520560 O\n0.754916 0.687158 0.290914 O\n0.455110 0.954695 0.663197 O\n0.492284 0.276390 0.985492 O\n0.341196 0.847400 0.055007 O\n0.562539 0.458339 0.295210 O\n0.050809 0.043629 0.843137 O\n0.165795 0.542044 0.578217 O\n0.662135 0.540547 0.080348 O\n0.405574 0.985828 0.837057 O\n0.399019 0.302814 0.139939 O\n0.992539 0.283379 0.479440 O\n0.245084 0.312842 0.709086 O\n0.786970 0.794950 0.022179 O\n0.203087 0.354953 0.247371 O\n0.392693 0.180042 0.390234 O\n0.582490 0.808738 0.359998 O\n0.949191 0.956371 0.156863 O\n0.743719 0.308298 0.209035 O\n0.841808 0.460137 0.024743 O\n0.507716 0.723610 0.014508 O\n0.718122 0.200766 0.484322 O\n0.337865 0.459453 0.919652 O\n0.712757 0.349220 0.752507 O\n0.904386 0.983170 0.332420 O\n0.544890 0.045305 0.336803 O\n0.653260 0.539787 0.474033 O\n0.914965 0.193456 0.137816 O\n0.150897 0.093481 0.271686 O\n0.849103 0.906519 0.728314 O\n0.934374 0.536855 0.206322 O\n0.417510 0.191262 0.640002 O\n0.098954 0.823363 0.105233 O\n0.607307 0.819958 0.609766 O\n0.658804 0.152600 0.944993 O\n0.346740 0.460213 0.525967 O\n0.437461 0.541661 0.704790 O\n0.849279 0.841986 0.560986 O\n0.287243 0.650780 0.247493 O\n0.600981 0.697186 0.860061 O\n0.094667 0.699212 0.358652 O\n0.594426 0.014172 0.162943 O\n0.150721 0.158014 0.439014 O\n0.905333 0.300788 0.641348 O\n0.085035 0.806544 0.862184 O\n0.095614 0.016830 0.667580 O\n0.256281 0.691702 0.790965 O\n0.065626 0.463145 0.793678 O\n0.796913 0.645047 0.752629 O\n0.834205 0.457956 0.421783 O\n0.281878 0.799234 0.515678 O\n",
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"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -256.93124031,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:34:32.452000Z",
"spacegroup": 146
}
]
}