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=-1.048854274478799 stress="-1.204564799377756 0.10598578350938777 0.03371779603737783 0.10598578350938777 -1.31282727409272 -0.025222581601715862 0.03371779603737783 -0.025222581601715862 -1.1467359202391563" pbc="T F F" Fe -0.14801295 0.06329927 0.09073906 9.05116089 -15.98696817 -10.92839383 Fe 1.77219963 1.43381326 0.13132919 -10.32978573 13.54910382 -10.26982078 Fe 1.75978669 0.18365717 1.70288723 -8.73903251 -12.47288066 10.22482442 Fe 0.08343331 1.29585403 1.44809454 10.01765735 14.91074501 10.97339019