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=-7.290614963557385 stress="-5.954796961307576 0.04629588329586887 -1.2238081790848154 0.04629588329586887 -9.935362201068282 -4.186424153924378 -1.2238081790848154 -4.186424153924378 -9.429348911108981" pbc="F F F" Fe -0.14459490 0.11115480 0.11044915 -2.39872511 -5.36405301 -5.87909959 Fe 1.70960170 1.31143450 0.04092907 1.75887637 1.43638112 -1.13986968 Fe 1.28829595 -0.16490224 1.64041416 1.81631440 -1.59327230 2.56908978 Fe -0.22187219 1.51878885 1.32834452 -1.17646566 5.52094419 4.44987948