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=20.012301692779577 stress="-4.709472138379466 1.998392877954855 -0.5432139453479294 1.998392877954855 -4.3711746601377985 -0.7810342544167415 -0.5432139453479294 -0.7810342544167415 -2.806854554615303" pbc="T F T" Ni -0.05853576 0.10338854 0.39742157 -1.85324227 -17.11703497 -21.42310243 Ni 1.35813690 1.42518197 -0.25336477 16.91837798 15.24531520 22.21076489 Al 1.48702489 0.18843096 1.49990756 43.54921200 -74.45342813 5.62003912 Al 0.29169807 1.46863002 1.44630638 -58.61434772 76.32514790 -6.40770158