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=9.023042676222705 stress="-3.128414696686087 0.5810665716965068 -0.723293254223446 0.5810665716965068 -3.1766024245351168 -0.5197538891651129 -0.723293254223446 -0.5197538891651129 -3.4519976101431116" pbc="T T T" Fe -0.14459490 0.11115480 0.11044915 23.64939436 -35.13581606 -11.86024026 Fe 1.70960170 1.31143450 0.04092907 -40.39043268 28.37662076 -16.36973022 Fe 1.35333724 0.05786860 1.64041416 -6.73704067 -14.54105287 -2.27038780 Fe -0.22187219 1.37281364 1.32834452 23.47807900 21.30024818 30.50035828