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=-6.850917592713477 stress="-6.075590771641169 0.1268261732796565 -1.1730227330129177 0.1268261732796565 -11.303632112449735 -5.318791709095741 -1.1730227330129177 -5.318791709095741 -10.530074873327324" pbc="F F F" Fe -0.14459490 0.11115480 0.11044915 -2.38660979 -6.31272582 -6.73803653 Fe 1.70960170 1.31143450 0.04092907 1.79492537 1.44914377 -1.17035141 Fe 1.28829595 -0.16490224 1.64041416 1.84957552 -1.61437602 2.61839922 Fe -0.22187219 1.51878885 1.32834452 -1.25789109 6.47795807 5.28998873