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=-8.325153966707077 stress="-3.875596385548513 0.8436292037031684 0.4978342649822447 0.8436292037031684 -3.0352603823887376 -0.4258434541986229 0.4978342649822447 -0.4258434541986229 -2.4833097667332176" pbc="F F F" Fe -0.03624564 -0.09416457 -0.24440284 -0.61778182 -0.95024891 -0.77808788 Fe 1.20178472 1.79874826 -0.22709028 1.05376767 0.62241072 -0.68693387 Fe 1.38090187 0.06206862 1.55835534 1.51504664 -0.94402291 0.41051048 Fe -0.25354363 1.48193431 1.42001865 -1.95103249 1.27186110 1.05451127