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H\n0.599097 0.923759 0.229075 H\n0.900903 0.923759 0.229075 H\n0.099097 0.423759 0.270925 H\n0.400903 0.423759 0.270925 H\n0.538447 0.290709 0.300587 H\n0.961553 0.290709 0.300587 H\n0.965406 0.436694 0.364812 H\n0.534594 0.436694 0.364812 H\n0.900517 0.864242 0.441846 H\n0.599483 0.864242 0.441846 H\n0.000709 0.706305 0.450768 H\n0.499291 0.706305 0.450768 H\n0.557830 0.163527 0.476790 H\n0.942170 0.163527 0.476790 H\n0.057830 0.836473 0.523210 H\n0.442170 0.836473 0.523210 H\n0.999291 0.293695 0.549232 H\n0.500709 0.293695 0.549232 H\n0.099483 0.135758 0.558154 H\n0.400517 0.135758 0.558154 H\n0.034594 0.563306 0.635188 H\n0.465406 0.563306 0.635188 H\n0.038447 0.709291 0.699413 H\n0.461553 0.709291 0.699413 H\n0.599097 0.576241 0.729075 H\n0.900903 0.576241 0.729075 H\n0.099097 0.076241 0.770925 H\n0.400903 0.076241 0.770925 H\n0.538447 0.209291 0.800587 H\n0.961553 0.209291 0.800587 H\n0.534594 0.063306 0.864812 H\n0.965406 0.063306 0.864812 H\n0.599483 0.635758 0.941846 H\n0.900517 0.635758 0.941846 H\n0.499291 0.793695 0.950768 H\n0.000709 0.793695 0.950768 H\n0.557830 0.336473 0.976790 H\n0.942170 0.336473 0.976790 H\n0.750000 0.780113 0.085277 Ru\n0.250000 0.280113 0.414723 Ru\n0.750000 0.719887 0.585277 Ru\n0.250000 0.219887 0.914723 Ru\n0.750000 0.592303 0.166512 S\n0.250000 0.092303 0.333488 S\n0.750000 0.907697 0.666512 S\n0.250000 0.407697 0.833488 S\n0.049383 0.290534 0.011439 N\n0.450617 0.290534 0.011439 N\n0.545185 0.868145 0.173234 N\n0.954815 0.868145 0.173234 N\n0.045185 0.368145 0.326766 N\n0.454815 0.368145 0.326766 N\n0.950617 0.790534 0.488561 N\n0.549383 0.790534 0.488561 N\n0.049383 0.209466 0.511439 N\n0.450617 0.209466 0.511439 N\n0.545185 0.631855 0.673234 N\n0.954815 0.631855 0.673234 N\n0.045185 0.131855 0.826766 N\n0.454815 0.131855 0.826766 N\n0.549383 0.709466 0.988561 N\n0.950617 0.709466 0.988561 N\n0.750000 0.007585 0.003926 Cl\n0.250000 0.565871 0.150877 Cl\n0.750000 0.065871 0.349123 Cl\n0.250000 0.507585 0.496074 Cl\n0.750000 0.492415 0.503926 Cl\n0.250000 0.934129 0.650877 Cl\n0.750000 0.434129 0.849123 Cl\n0.250000 0.992415 0.996074 Cl\n0.750000 0.445797 0.130218 O\n0.250000 0.101604 0.230071 O\n0.750000 0.601604 0.269929 O\n0.250000 0.945797 0.369782 O\n0.750000 0.054203 0.630218 O\n0.250000 0.398396 0.730071 O\n0.750000 0.898396 0.769929 O\n0.250000 0.554203 0.869782 O\n","nsites":88,"nelements":6,"elements":["H","Ru","S","N","Cl","O"],"chemical_system":"Cl-H-N-O-Ru-S","density":2.0412739983882138,"density_atomic":0.0889139907176861,"volume":989.7205073092699,"volume_molar":6.772995690994356,"formula_full":"H48 Ru4 S4 N16 Cl8 O8","formula_reduced":"H12RuSN4(ClO)2","formula_anonymous":"ABC2D2E4F12","energy":-471.9992257500001,"energy_per_atom":-5.36362756534091,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-455.81522575,"band_gap":1.9291,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0004209,"is_theoretical":false,"updated_at":"2021-11-28T01:38:14.188000Z","spacegroup":62}]}