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O\n0.160906 0.289260 0.117025 O\n0.660906 0.210740 0.882975 O\n0.839094 0.710740 0.617025 O\n0.660906 0.210740 0.617025 O\n0.839094 0.710740 0.882975 O\n0.339094 0.789260 0.117025 O\n0.160906 0.289260 0.382975 O\n0.841503 0.713948 0.397243 O\n0.658497 0.213948 0.102757 O\n0.158497 0.286052 0.897243 O\n0.341503 0.786052 0.602757 O\n0.158497 0.286052 0.602757 O\n0.341503 0.786052 0.897243 O\n0.841503 0.713948 0.102757 O\n0.658497 0.213948 0.397243 O\n0.202473 0.556256 0.479173 O\n0.297527 0.056256 0.020827 O\n0.797527 0.443744 0.979173 O\n0.702473 0.943744 0.520827 O\n0.797527 0.443744 0.520827 O\n0.702473 0.943744 0.979173 O\n0.202473 0.556256 0.020827 O\n0.297527 0.056256 0.479173 O\n","nsites":100,"nelements":3,"elements":["Ba","H","O"],"chemical_system":"Ba-H-O","density":4.095593769823642,"density_atomic":0.07197385419058706,"volume":1389.3934279967777,"volume_molar":8.36712279441552,"formula_full":"Ba20 H40 O40","formula_reduced":"Ba(HO)2","formula_anonymous":"AB2C2","energy":-575.38958705,"energy_per_atom":-5.7538958705,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-547.90958705,"band_gap":3.489,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.001512,"is_theoretical":false,"updated_at":"2021-11-28T01:34:24.766000Z","spacegroup":62}]}