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=-7.290614962879091 stress="-5.954794981768515 0.04629764429735772 -1.2238086654510973 0.04629764429735772 -9.935362620238067 -4.186425224038109 -1.2238086654510973 -4.186425224038109 -9.429345699574478" pbc="F F F" Fe -0.14459490 0.11115480 0.11044915 -2.39872404 -5.36405305 -5.87909878 Fe 1.70960170 1.31143450 0.04092907 1.75887506 1.43638030 -1.13986830 Fe 1.28829595 -0.16490224 1.64041416 1.81631472 -1.59327242 2.56908830 Fe -0.22187219 1.51878885 1.32834452 -1.17646573 5.52094517 4.44987878