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=-3.9354218372052396 stress="-21.627454747062377 3.3835644486358025 -9.939894956922291 3.3835644486358025 -12.14229239737393 -0.8581329717929478 -9.939894956922291 -0.8581329717929478 -20.748945311911875" pbc="F F F" Fe 0.02103145 -0.22238644 0.18220204 -12.49083527 -1.90613166 -13.06920188 Fe 1.39362841 1.73573857 0.02724172 2.94785246 1.62620708 -3.56329469 Fe 1.27538150 -0.29703668 1.34887301 14.86374334 -5.37824505 10.91240873 Fe 0.22083292 1.28984966 1.48735431 -5.32076052 5.65816963 5.72008784