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N\n0.092283 0.293134 0.014862 N\n0.407717 0.293134 0.514862 N\n0.907717 0.706866 0.985138 N\n0.602853 0.325363 0.460267 N\n0.102853 0.674637 0.039733 N\n0.397147 0.674637 0.539733 N\n0.897147 0.325363 0.960267 N\n0.537286 0.007855 0.675819 Cl\n0.037286 0.992145 0.824181 Cl\n0.462714 0.992145 0.324181 Cl\n0.962714 0.007855 0.175819 Cl\n0.922865 0.486449 0.646430 O\n0.422865 0.513551 0.853570 O\n0.077135 0.513551 0.353570 O\n0.577135 0.486449 0.146430 O\n0.789955 0.638800 0.555603 O\n0.289955 0.361200 0.944397 O\n0.210045 0.361200 0.444397 O\n0.710045 0.638800 0.055603 O\n0.774609 0.313978 0.609106 O\n0.274609 0.686022 0.890894 O\n0.225391 0.686022 0.390894 O\n0.725391 0.313978 0.109106 O\n0.749428 0.058364 0.828026 O\n0.249428 0.941636 0.671974 O\n0.250572 0.941636 0.171974 O\n0.750572 0.058364 0.328026 O\n","nsites":136,"nelements":6,"elements":["Co","H","S","N","Cl","O"],"chemical_system":"Cl-Co-H-N-O-S","density":1.6857391154591908,"density_atomic":0.10564623898767311,"volume":1287.3151122385775,"volume_molar":5.700288829688171,"formula_full":"Co4 H80 S8 N24 Cl4 O16","formula_reduced":"CoH20S2N6ClO4","formula_anonymous":"ABC2D4E6F20","energy":-720.80804026,"energy_per_atom":-5.300059119558823,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-692.14404026,"band_gap":2.5831,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":5.6e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:35:09.608000Z","spacegroup":14}]}