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=3.346167770725332 stress="-2.518396735808949 -0.015777525337158347 0.26401184828455393 -0.015777525337158347 -2.5902192273972506 0.6608385892545874 0.26401184828455393 0.6608385892545874 -2.2813711454547256" pbc="T T F" Fe 0.20996341 -0.00792870 0.15300231 -5.64563899 5.58080065 -21.86716897 Fe 1.53848316 1.45774659 0.19178619 12.50670584 6.83154680 -28.02606863 Fe 1.67895518 0.29140871 1.61455359 0.37551435 -12.31138114 19.20895554 Fe 0.13862875 1.61508687 1.28091226 -7.23658119 -0.10096631 30.68428206