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=-3.563400064256569 stress="-1.739798000920271 0.1033521364631139 0.13157908418177233 0.1033521364631139 -1.1480808194967846 0.00382055407710669 0.13157908418177233 0.00382055407710669 -1.2756352277353091" pbc="T F T" Ni -0.01036258 0.01361598 -0.14801295 -10.49659431 -9.04003450 14.94290028 Ni 1.47567541 1.56329927 -0.06254558 6.90170855 8.97274892 12.72418807 Ni 1.27846858 0.09073906 1.77219963 12.52861736 -11.02461581 -16.18587406 Ni 0.13670048 1.63132919 1.75978669 -8.93373160 11.09190139 -11.48121429