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=-2.643217171501962 stress="-1.2944711640690982 -0.008643134980007083 0.15199839287200959 -0.008643134980007083 -1.6106541842557403 -0.11915174760563566 0.15199839287200959 -0.11915174760563566 -1.298733883074002" pbc="F F T" Fe 0.10170120 0.00082602 0.24624097 -10.28615998 -16.47050238 -11.39848902 Fe 1.64302402 1.35498893 0.11042859 14.17793699 13.88483506 -15.44727124 Fe 1.70947124 0.05280714 1.41333883 8.55852059 -13.70474630 11.75713024 Fe 0.15488783 1.55988540 1.20245745 -12.45029760 16.29041363 15.08863002