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=-6.9345115266 stress="-0.45291340000064945 0.5521666812815135 0.3122501402147015 0.5521666812815135 -0.44871126038911746 0.2793638597217742 0.3122501402147015 0.2793638597217742 -0.18552204450705037" pbc="F F F" Fe -0.29134056 -0.13449789 -0.21197381 0.90268424 0.50351742 0.62413815 Fe 1.71484213 1.64359035 0.18362810 0.23741539 0.66511089 -1.62614258 Fe 1.69581920 0.14685009 1.68811563 2.08276701 -3.01210328 0.42842568 Fe 0.17626233 1.35402479 1.70996341 -3.22286664 1.84347497 0.57357875