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=-1.6752493400597441 stress="-1.9413308059845438 0.35850506850998526 -0.4228402060157511 0.35850506850998526 -1.8246552204439392 -0.1992953711414541 -0.4228402060157511 -0.1992953711414541 -1.8209213331341716" pbc="T T T" Fe -0.14459490 0.11115480 -0.01275680 15.99556562 -16.71299277 -1.43985487 Fe 1.70960170 1.31143450 0.04092907 -26.85720034 16.06950642 -9.94926539 Fe 1.35333724 0.05786860 1.64041416 -3.47770722 -4.92454132 -2.56494756 Fe -0.22187219 1.51878885 1.32834452 14.33934194 5.56802766 13.95406782