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=-2.6432186175597674 stress="-1.2944815151582139 -0.008650472607411894 0.15199661802845588 -0.008650472607411894 -1.6106356255678482 -0.119185811629867 0.15199661802845588 -0.119185811629867 -1.2987351648977652" pbc="F F T" Fe 0.10170120 0.00082602 0.24624097 -10.28626297 -16.47066007 -11.39865805 Fe 1.64302402 1.35498893 0.11042859 14.17818194 13.88438021 -15.44671060 Fe 1.70947124 0.05280714 1.41333883 8.55846237 -13.70418885 11.75661860 Fe 0.15488783 1.55988540 1.20245745 -12.45038134 16.29046871 15.08875005