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=-40.73084253395784 stress="-21.837060264525913 -7.168099274014274 8.238289206280925 -7.168099274014274 -30.488184917826946 -8.140775700609124 8.238289206280925 -8.140775700609124 -27.128505444777744" pbc="F F F" Fe 0.22094491 0.23171545 0.18190327 -8.87108704 -19.51248903 -10.86384996 Fe 1.32183498 1.71219253 -0.07514625 14.07601470 9.77490719 -9.52430614 Fe 1.54551734 -0.08117935 1.68758231 3.71718676 -1.37940521 3.69786673 Fe 0.06210000 1.63362859 1.32702941 -8.92211442 11.11698705 16.69028937