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"structure_string": "Co8 O8 F8\n1.0\n0.000000 4.591814 -0.020551\n2.891643 0.000000 0.000000\n0.000000 -1.636604 -18.071163\nCo O F\n8 8 8\ndirect\n0.107212 0.000000 0.122886 Co\n0.892788 0.000000 0.877114 Co\n0.962782 0.000000 0.626570 Co\n0.037218 0.000000 0.373429 Co\n0.500000 0.499999 -0.000000 Co\n0.430668 0.499999 0.753311 Co\n0.500000 0.499999 0.500000 Co\n0.569332 0.499999 0.246689 Co\n0.255580 0.499999 0.074878 O\n0.317018 0.000000 0.450548 O\n0.394902 0.000000 0.196568 O\n0.242043 0.000000 0.702658 O\n0.605098 0.000000 0.803432 O\n0.757957 0.000000 0.297342 O\n0.682982 0.000000 0.549452 O\n0.744420 0.499999 0.925122 O\n0.749685 0.499999 0.676252 F\n0.823767 0.499999 0.423334 F\n0.908145 0.499999 0.172590 F\n0.751616 0.000000 0.052301 F\n0.248384 0.000000 0.947698 F\n0.091855 0.499999 0.827409 F\n0.176233 0.499999 0.576666 F\n0.250315 0.499999 0.323748 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Co",
"O",
"F"
],
"chemical_system": "Co-F-O",
"density": 5.198247589489678,
"density_atomic": 0.09998162257384294,
"volume": 240.04411392978182,
"volume_molar": 6.023247677894261,
"formula_full": "Co8 O8 F8",
"formula_reduced": "CoOF",
"formula_anonymous": "ABC",
"energy_above_hull": 1.1526248941666666,
"spacegroup": 10
}
]
}