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=1.6400481342029196 stress="-13.233385313451448 -4.236639462594251 -2.7522813269522155 -4.236639462594251 -9.972558638097404 2.265913867039041 -2.7522813269522155 2.265913867039041 -14.117114566895143" pbc="F F F" Fe 0.27219963 -0.06618674 0.13132919 -7.12848310 -5.44151968 -3.81081835 Fe 1.75978669 1.22592512 -0.21495266 4.10966565 5.81112656 -4.68088911 Fe 1.68365717 0.20288723 1.58343331 4.53325884 -2.42820756 7.28915987 Fe -0.20414597 1.44809454 1.72094491 -1.51444139 2.05860069 1.20254759