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=-10.068680274500448 stress="1.7966817851254722 0.3657798951593538 -0.6346369839740548 0.3657798951593538 1.232965248609936 -0.5072097745202271 -0.6346369839740548 -0.5072097745202271 1.2585897894003362" free_energy=-10.068680274500448 pbc="T T T" Ni -0.14459490 0.11115480 0.11044915 20.59806809 -31.28472699 -18.54287911 Ni 1.70960170 1.31143450 0.04092907 -44.27811180 14.44230903 -15.76859654 Ni 1.28829595 -0.16490224 1.64041416 2.72517844 6.80948029 -2.30830381 Ni -0.22187219 1.51878885 1.32834452 20.95486527 10.03293767 36.61977946