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24\ndirect\n0.151100 0.151100 0.151100 Ni\n0.644032 0.644032 0.644032 Ni\n0.848744 0.848744 0.848744 Ni\n0.041434 0.756815 0.456185 S\n0.456185 0.041434 0.756815 S\n0.756815 0.456185 0.041434 S\n0.248104 0.541511 0.955883 S\n0.541511 0.955883 0.248104 S\n0.955883 0.248104 0.541511 S\n0.109042 0.296387 0.507310 O\n0.296387 0.507310 0.109042 O\n0.997990 0.966864 0.332177 O\n0.507310 0.109042 0.296387 O\n0.025619 0.717613 0.650385 O\n0.243012 0.639426 0.366140 O\n0.366140 0.243012 0.639426 O\n0.332177 0.997990 0.966864 O\n0.639426 0.366140 0.243012 O\n0.040065 0.670926 0.992438 O\n0.283175 0.350157 0.969854 O\n0.350157 0.969854 0.283175 O\n0.650385 0.025619 0.717613 O\n0.717613 0.650385 0.025619 O\n0.966864 0.332177 0.997990 O\n0.373904 0.630476 0.758929 O\n0.670926 0.992438 0.040065 O\n0.630476 0.758929 0.373904 O\n0.758929 0.373904 0.630476 O\n0.969854 0.283175 0.350157 O\n0.479541 0.901942 0.697782 O\n0.992438 0.040065 0.670926 O\n0.697782 0.479541 0.901942 O\n0.901942 0.697782 0.479541 O\n","nsites":33,"nelements":3,"elements":["Ni","S","O"],"chemical_system":"Ni-O-S","density":2.7757490577442008,"density_atomic":0.07331014007950201,"volume":450.1423672661487,"volume_molar":8.214608174898073,"formula_full":"Ni3 S6 O24","formula_reduced":"Ni(SO4)2","formula_anonymous":"AB2C8","energy":-208.69303691,"energy_per_atom":-6.324031421515151,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-184.58203691,"band_gap":0.0251,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.0007239,"is_theoretical":true,"updated_at":"2021-11-28T01:35:29.907000Z","spacegroup":146}]}