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=-6.124494460450643 stress="-10.587839032865224 -3.5970442967786185 3.1472477675997466 -3.5970442967786185 -8.538632745369581 -0.44517048381832813 3.1472477675997466 -0.44517048381832813 -9.925025329120361" pbc="F F F" Al -0.27948471 0.19273990 -0.19277068 -3.92687721 -4.32521277 -1.51809118 Al 1.26172667 1.55332204 -0.11563527 5.84231555 4.31285612 -4.05266588 Fe 1.73110688 -0.00183978 1.60225619 1.63577912 -1.99681475 0.27685689 Fe 0.20071341 1.32858036 1.64720807 -3.55121746 2.00917140 5.29390017