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=-1.952939445158393 stress="-23.26479409340648 -1.5504406686035157 -0.4013075936211772 -1.5504406686035157 -37.50078576004337 -16.588146251594683 -0.4013075936211772 -16.588146251594683 -32.79397313935677" pbc="F F F" Fe -0.14459490 0.11115480 0.11044915 -8.96747647 -19.95484278 -18.13176175 Fe 1.58639575 1.27038270 0.04092907 9.47712551 4.41863075 -6.73163446 Fe 1.28829595 -0.09986095 1.64041416 5.38616094 -6.49262400 6.55294213 Fe 0.00089865 1.51878885 1.32834452 -5.89580999 22.02883603 18.31045409