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=-6.01391956008 stress="-0.8296085957334557 0.8814287696763556 0.8026134335365388 0.8814287696763556 -0.6567648277465569 0.4407448621494148 0.8026134335365388 0.4407448621494148 -1.2156614270648096" pbc="F F F" Fe -0.29779682 -0.28244114 -0.14458569 0.96825520 0.99545586 0.78874891 Fe 1.39917148 1.61922537 -0.15161904 2.06500348 0.89351709 -5.56473557 Fe 1.71005355 0.21211731 1.42633103 2.55070116 -4.26886520 1.03954666 Fe 0.29594673 1.65710459 1.49042854 -5.58395985 2.37989225 3.73643999