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=19.143038039250513 stress="-2.6979330284643264 0.4533319505271876 0.23921684556518993 0.4533319505271876 -4.684197386707194 1.3660163802317895 0.23921684556518993 1.3660163802317895 -4.770001560480431" pbc="F T T" Fe 0.20288723 0.08343331 -0.20414597 -33.20230229 -26.88718478 49.33808847 Fe 1.44809454 1.72094491 0.23171545 20.76382807 -32.14978590 6.54275670 Fe 1.68190327 -0.17816502 1.71219253 30.86133536 20.68415452 -12.03878875 Fe 0.12990665 1.28220450 1.78278197 -18.42286114 38.35281617 -43.84205642