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=18.63315458421059 stress="-4.080970377270141 0.9563799060612865 -0.7988634746900373 0.9563799060612865 -5.524733621861558 -1.4952124550161487 -0.7988634746900373 -1.4952124550161487 -6.019144537405232" pbc="T T T" Fe -0.14459490 0.11115480 0.11044915 38.74823412 -56.74593234 -14.00672619 Fe 1.70960170 1.31143450 -0.16166483 -66.88808900 61.21899530 15.59762367 Fe 1.28829595 0.03769167 1.64041416 -8.18609819 -29.05366683 -28.09314779 Fe -0.22187219 1.51878885 1.32834452 36.32595307 24.58060387 26.50225031