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=-7.541970381970046 stress="-0.36380068555978484 0.007388993105353538 -0.10729112613533792 0.007388993105353538 -0.44698854672895744 -0.017323951253695898 -0.10729112613533792 -0.017323951253695898 -0.475995802295166" pbc="T F F" Ni 0.07826495 0.12033173 0.17828948 0.21681004 -5.53449062 -3.89956053 Ni 1.71182891 1.29301824 0.07255377 -2.23572532 4.27931503 -5.01427601 Ni 1.35811107 0.01258782 1.66911338 0.38035922 -3.20498740 4.37751365 Ni -0.19545900 1.62365747 1.45588739 1.63855606 4.46016299 4.53632290