4 Lattice="3.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 3.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=46.90638973021227 stress="-2.9455227062534184 -0.1459108279869164 0.061981323500259 -0.1459108279869164 -3.0496249631051477 0.15573101640067313 0.061981323500259 0.15573101640067313 -2.8406470535484747" free_energy=46.90638973021227 pbc="F F T" W 0.13215382 0.03922890 -0.08519993 -26.35420039 -28.64590031 -14.13056763 W 1.61719846 1.77680686 0.09967038 22.50900203 28.23460406 -12.43198991 W 1.49640474 0.06224969 1.08310626 33.79769765 -27.85118109 12.30386963 W 0.13236414 1.23944939 1.23266381 -29.95249930 28.26247734 14.25868791