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=0.756571794883 stress="-7.932407801276749 -0.12017811580171087 -2.9135039151461437 -0.12017811580171087 -5.722551774215464 -0.9460261868838159 -2.9135039151461437 -0.9460261868838159 -7.01192573178558" pbc="F F F" Fe 0.18220204 -0.10637159 0.23573857 -17.69097976 -11.73667389 -16.30081777 Fe 1.52724172 1.27538150 -0.29703668 3.80316940 6.17704592 -6.59173095 Fe 1.34887301 0.22083292 1.28984966 21.63750935 -4.95201624 18.38535747 Fe -0.01264569 1.42299150 1.40698366 -7.74969899 10.51164421 4.50719126