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=5.188065252779179 stress="-2.421408115219441 0.2879172844743429 -0.18608509725985162 0.2879172844743429 -2.568745410202579 -0.3917729838889923 -0.18608509725985162 -0.3917729838889923 -2.8651872738368813" free_energy=5.188065252779179 pbc="T T T" Fe -0.14459490 0.11115480 0.11044915 10.46654861 -22.75447278 -7.49513803 Fe 1.70960170 1.31143450 -0.16166483 -17.32835343 17.66532675 3.62570538 Fe 1.28829595 0.03769167 1.64041416 -2.26534496 -13.30352795 -5.74529520 Fe -0.22187219 1.22744829 1.32834452 9.12714978 18.39267398 9.61472785