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0.355122 O\n0.990718 0.027333 0.351385 O\n","nsites":38,"nelements":3,"elements":["Ba","Ti","O"],"chemical_system":"Ba-O-Ti","density":4.387451082903013,"density_atomic":0.08142698476384075,"volume":466.67576001014646,"volume_molar":7.395755568581793,"formula_full":"Ba2 Ti12 O24","formula_reduced":"BaTi6O12","formula_anonymous":"AB6C12","energy":-349.31705174,"energy_per_atom":-9.192553993157896,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-332.82905174,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.9980094,"is_theoretical":true,"updated_at":"2021-11-28T01:38:23.840000Z","spacegroup":12}]}