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=-6.462598860762691 stress="-10.200139490474037 -3.439188796238721 5.429605969476416 -3.439188796238721 -8.691979832437916 -1.643715027345613 5.429605969476416 -1.643715027345613 -12.304649666620106" pbc="F F F" Fe 0.13132919 0.25978669 -0.27407488 -3.50131501 -4.21407181 -1.91815398 Fe 1.28504734 1.68365717 0.20288723 8.28837013 4.48277931 -5.78965347 Fe 1.40526828 -0.20414597 1.66028707 0.90067619 -1.44267575 0.47223722 Fe 0.22094491 1.65656920 1.68190327 -5.68773132 1.17396826 7.23557022