16 Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-39.95727256051739 stress="2.4529678926421205e-05 5.398572591057856e-05 4.219161036400371e-05 5.398572591057856e-05 1.5555927397727143e-06 -8.381307793324903e-05 4.219161036400371e-05 -8.381307793324903e-05 3.718734044859087e-05" pbc="F F F" Fe 21.33026318 20.96064715 21.10181725 -1.17965790 -1.05955711 -0.91201033 Fe 22.43300593 22.22002482 22.27696427 -2.02588925 3.37962032 4.07201786 Fe 23.91661558 21.26489847 21.41130366 2.84694877 -2.11088933 -1.59069013 Fe 25.79391194 22.22614529 22.47564087 -1.03891110 0.74760253 0.82879986 Al 20.77761356 24.18220204 20.89362841 1.10435130 -0.68311795 0.96809168 Al 22.73573857 25.52724172 22.27538150 -2.93818596 3.63801200 -0.00585975 Al 23.70296332 23.84887301 21.22083292 1.85778898 -1.79642927 -1.83478075 Fe 25.36312902 25.68725154 22.55260350 -0.08974165 -0.19088779 0.03999308 Al 20.90698366 21.05532969 23.98545728 0.84202118 0.59553900 -0.30530338 Al 22.63102478 22.36560096 25.76120756 -0.43588854 1.36655073 -0.01287661 Fe 23.89701352 21.25226748 24.26200451 0.57541934 -0.06185987 -1.97207859 Al 25.54396501 22.57236142 25.70379337 -0.95073470 0.66696990 -0.88740371 Al 21.23854596 23.76922180 23.76503386 0.49872941 0.23977773 -0.01893212 Fe 22.52031036 25.68745344 25.52015752 0.70651500 -0.97434630 -0.93522309 Al 23.87970777 24.27711528 23.73936785 -0.10997374 -4.13594726 1.98991244 Fe 25.25213077 25.23125112 25.21824351 0.33720887 0.37896268 0.57634355