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=72.40463944484878 stress="-4.634708872484119 -0.8348475685358049 1.1530268444569558 -0.8348475685358049 -8.06823298759137 1.1420520735911934 1.1530268444569558 1.1420520735911934 -7.485952689279077" pbc="F T T" Mg 0.22094491 0.23171545 0.18190327 -42.95624529 0.18070434 -12.74649263 Mg 1.32183498 1.71219253 -0.07514625 42.15153692 -41.63085084 28.91769200 Mg 1.62990665 -0.21779550 1.78278197 50.30005142 47.80947897 -41.80084144 Mg 0.06210000 1.70397289 1.32702941 -49.49534305 -6.35933247 25.62964207