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=-2.013956162139536 stress="-20.725251574931796 1.8235972095169564 3.8788611895225484 1.8235972095169564 -17.79500558085081 3.4302208809632546 3.8788611895225484 3.4302208809632546 -22.160680349517847" pbc="F F F" Fe -0.04225341 -0.08147842 -0.04210664 -4.35291559 -5.85020516 -2.32287516 Fe 1.38825682 1.27041603 0.19178619 10.09766238 7.85414590 -14.59734847 Fe 1.67895518 0.29140871 1.61455359 4.07556394 -7.84074845 9.55852744 Fe 0.03253581 1.64904689 1.28091226 -9.82031072 5.83680771 7.36169619