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=2.6598051387996273 stress="-1.5985548996434158 -0.44034346578517813 -0.2012656195485217 -0.44034346578517813 -1.5675918166577885 0.39768726155507134 -0.2012656195485217 0.39768726155507134 -2.00713146931972" pbc="F F T" Fe 0.21211731 0.29594673 0.15710459 -20.89107629 -29.74134823 2.54706490 Fe 1.49042854 1.35687199 0.02996617 22.05191234 23.11044103 -4.18781405 Fe 1.74122900 0.02201293 1.31634348 8.70493465 -9.74199166 6.51778728 Fe 0.04376171 1.22051529 1.69273990 -9.86577070 16.37289886 -4.87703812