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=-0.9525666475822095 stress="-1.443650220939314 0.05832879293328528 0.006299915464771657 0.05832879293328528 -1.4039443965376392 -0.04347757018120291 0.006299915464771657 -0.04347757018120291 -1.055861243951166" pbc="T F F" Fe -0.14801295 0.06329927 0.09073906 9.32893159 -17.52480963 -10.26505535 Fe 1.77219963 1.43381326 0.13132919 -11.48958468 14.68915505 -9.29483615 Fe 1.75978669 0.18365717 1.70288723 -10.34766078 -12.83918982 9.16747782 Fe 0.08343331 1.29585403 1.44809454 12.50831386 15.67484440 10.39241368