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=-4.17352117444 stress="-6.261756560439581 2.4687767240615175 -0.28570021462761086 2.4687767240615175 -7.624411085694871 0.4320384543593596 -0.28570021462761086 0.4320384543593596 -3.162182230622577" pbc="F F F" Fe 0.19410236 -0.16903503 -0.11798803 -5.26778829 -6.39605384 -2.52200986 Fe 1.43300593 1.22002482 -0.22303573 5.85467014 5.27938241 -3.27982392 Fe 1.41661558 -0.03487808 1.72586561 12.40289324 -13.34168410 3.96178709 Fe 0.29391194 1.22614529 1.52103145 -12.98977509 14.45835553 1.84004669