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{
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"structure_string": "Li1 Ti2 Bi1 O6\n1.0\n4.707844 -0.006970 2.912429\n1.619516 4.420522 2.912429\n-0.009993 -0.006970 5.535877\nLi Ti Bi O\n1 2 1 6\ndirect\n0.700049 0.700048 0.700049 Li\n0.988165 0.988164 0.988165 Ti\n0.486265 0.486265 0.486265 Ti\n0.218959 0.218958 0.218959 Bi\n0.264808 0.820309 0.683724 O\n0.820310 0.683723 0.264807 O\n0.683724 0.264807 0.820310 O\n0.344804 0.766405 0.160713 O\n0.160714 0.344804 0.766405 O\n0.766404 0.160713 0.344804 O\n",
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{
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"structure_string": "Li2 Ti3 Bi1 O8\n1.0\n-2.988620 1.725480 4.880396\n-0.000000 3.450961 -4.880396\n-3.668794 -2.118179 -5.158076\nLi Ti Bi O\n2 3 1 8\ndirect\n0.908550 0.091449 0.725652 Li\n0.091449 0.908551 0.274347 Li\n0.500000 0.500000 0.000000 Ti\n0.500000 -0.000000 -0.000000 Ti\n-0.000000 0.500000 0.000000 Ti\n0.499999 0.500000 0.500000 Bi\n0.756844 0.711057 0.802631 O\n0.756844 0.243155 0.802630 O\n0.273479 0.726520 0.820441 O\n0.288942 0.243155 0.802631 O\n0.711057 0.756844 0.197369 O\n0.726519 0.273480 0.179558 O\n0.243155 0.756845 0.197369 O\n0.243155 0.288943 0.197369 O\n",
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"structure_string": "Li4 Ti2 B4 O12\n1.0\n5.045857 -0.090064 -0.007278\n0.159476 5.902750 -0.061539\n0.351706 1.951663 7.892020\nLi Ti B O\n4 2 4 12\ndirect\n0.336014 0.676449 0.606739 Li\n0.170294 0.490607 0.203697 Li\n0.860242 0.488752 0.784776 Li\n0.694526 0.302919 0.381720 Li\n0.360895 -0.001470 0.245201 Ti\n0.669656 -0.019168 0.743251 Ti\n0.849244 0.831500 0.434682 B\n0.363786 0.307146 0.898592 B\n0.666763 0.672224 0.089860 B\n0.181303 0.147859 0.553771 B\n0.909924 0.170526 0.582691 O\n0.302656 0.248794 0.401452 O\n0.807373 0.538510 0.208403 O\n0.613572 0.214471 0.860799 O\n0.416979 0.764896 0.127650 O\n0.319360 -0.008189 0.677916 O\n0.727888 0.730566 0.586999 O\n0.120626 0.808840 0.405757 O\n0.747753 0.728556 0.917334 O\n0.282806 0.250811 0.071119 O\n0.223171 0.440856 0.780053 O\n0.711194 0.987549 0.310534 O\n",
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"formula_reduced": "LiTaSiO5",
"formula_anonymous": "ABCD5",
"energy_above_hull": 2.9232981625,
"spacegroup": 14
}
]
}