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=4.841622372544033 stress="-51.994620066770004 -22.340778833502444 28.275364882980135 -22.340778833502444 -80.8447141791666 -23.869492303627993 28.275364882980135 -23.869492303627993 -66.66928854916846" pbc="F F F" Fe 0.22094491 0.23171545 0.18190327 -20.02374126 -54.00929789 -25.09192811 Fe 1.32183498 1.71219253 -0.07514625 37.82322699 26.62973960 -25.66178390 Fe 1.54551734 -0.08117935 1.68758231 5.07480087 -1.77059640 5.41816970 Fe 0.06210000 1.63362859 1.32702941 -22.87428660 29.15015469 45.33554231