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=2.659805140767428 stress="-1.5985548206165265 -0.4403434817092285 -0.20126561711511215 -0.4403434817092285 -1.5675918139747298 0.39768717555658767 -0.20126561711511215 0.39768717555658767 -2.007131869050934" pbc="F F T" Fe 0.21211731 0.29594673 0.15710459 -20.89107600 -29.74134894 2.54706518 Fe 1.49042854 1.35687199 0.02996617 22.05191161 23.11044074 -4.18781189 Fe 1.74122900 0.02201293 1.31634348 8.70493398 -9.74199109 6.51778537 Fe 0.04376171 1.22051529 1.69273990 -9.86576959 16.37289928 -4.87703866