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Cl\n0.921392 0.083744 0.781462 Cl\n0.583744 0.421392 0.281462 Cl\n0.818328 0.772707 0.576298 Cl\n0.312969 0.220609 0.402807 Cl\n0.595561 0.961577 0.901065 Cl\n0.961577 0.098935 0.404439 Cl\n0.181672 0.227293 0.576298 Cl\n0.083744 0.218538 0.078608 Cl\n0.097193 0.720609 0.187031 Cl\n0.772707 0.576298 0.818328 Cl\n0.928523 0.421296 0.829777 Cl\n0.220609 0.402807 0.312969 Cl\n0.181672 0.772707 0.423702 Cl\n0.272707 0.681672 0.923702 Cl\n0.170223 0.928523 0.578704 Cl\n0.681672 0.923702 0.272707 Cl\n0.571477 0.670223 0.921296 Cl\n0.829777 0.928523 0.421296 Cl\n0.095561 0.598935 0.538423 Cl\n0.423054 0.576946 0.576946 Cl\n0.416256 0.578608 0.281462 Cl\n0.902807 0.279391 0.187031 Cl\n0.038423 0.901065 0.404439 Cl\n0.421392 0.281462 0.583744 Cl\n0.597193 0.687031 0.220609 Cl\n0.916256 0.781462 0.078608 Cl\n0.720609 0.812969 0.902807 Cl\n0.901065 0.595561 0.961577 Cl\n0.078608 0.916256 0.781462 Cl\n0.227293 0.423702 0.818328 Cl\n0.779391 0.402807 0.687031 Cl\n0.461577 0.095561 0.401065 Cl\n0.779391 0.597193 0.312969 Cl\n0.421296 0.170223 0.071477 Cl\n0.923702 0.727293 0.318328 Cl\n0.076946 0.076946 0.923054 Cl\n0.923054 0.923054 0.923054 Cl\n0.923702 0.272707 0.681672 Cl\n0.423702 0.818328 0.227293 Cl\n0.961577 0.901065 0.595561 Cl\n0.928523 0.578704 0.170223 Cl\n0.902807 0.720609 0.812969 Cl\n0.812969 0.902807 0.720609 Cl\n0.272707 0.318328 0.076298 Cl\n0.423702 0.181672 0.772707 Cl\n0.076298 0.272707 0.318328 Cl\n0.076946 0.923054 0.076946 Cl\n0.461577 0.904439 0.598935 Cl\n0.921296 0.571477 0.670223 Cl\n0.583744 0.578608 0.718538 Cl\n0.421296 0.829777 0.928523 Cl\n0.578608 0.718538 0.583744 Cl\n0.220609 0.597193 0.687031 Cl\n0.098935 0.595561 0.038423 Cl\n0.428523 0.670223 0.078704 Cl\n0.097193 0.279391 0.812969 Cl\n0.916256 0.218538 0.921392 Cl\n0.421392 0.718538 0.416256 Cl\n0.071477 0.421296 0.170223 Cl\n0.578704 0.829777 0.071477 Cl\n0.404439 0.961577 0.098935 Cl\n0.681672 0.076298 0.727293 Cl\n0.078704 0.571477 0.329777 Cl\n0.598935 0.461577 0.904439 Cl\n0.687031 0.779391 0.402807 Cl\n0.904439 0.401065 0.538423 Cl\n0.402807 0.312969 0.220609 Cl\n0.312969 0.779391 0.597193 Cl\n0.078704 0.428523 0.670223 Cl\n0.578608 0.281462 0.416256 Cl\n0.078608 0.083744 0.218538 Cl\n0.818328 0.227293 0.423702 Cl\n0.921392 0.916256 0.218538 Cl\n0.187031 0.902807 0.279391 Cl\n0.218538 0.078608 0.083744 Cl\n0.727293 0.318328 0.923702 Cl\n0.727293 0.681672 0.076298 Cl\n0.071477 0.578704 0.829777 Cl\n0.772707 0.423702 0.181672 Cl\n0.576298 0.181672 0.227293 Cl\n0.812969 0.097193 0.279391 Cl\n0.597193 0.312969 0.779391 Cl\n0.402807 0.687031 0.779391 Cl\n0.083744 0.781462 0.921392 Cl\n0.416256 0.421392 0.718538 Cl\n","nsites":160,"nelements":2,"elements":["Se","Cl"],"chemical_system":"Cl-Se","density":2.4124475468818805,"density_atomic":0.032902946724358124,"volume":4862.786343739591,"volume_molar":18.302739904878475,"formula_full":"Se32 Cl128","formula_reduced":"SeCl4","formula_anonymous":"AB4","energy":-479.82728102,"energy_per_atom":-2.9989205063749997,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-401.23528102,"band_gap":2.8566,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0056229,"is_theoretical":false,"updated_at":"2021-11-28T01:35:06.878000Z","spacegroup":218}]}