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=-0.8082209898722391 stress="0.22273209597026167 0.02507576725748311 -0.025880130998548564 0.02507576725748311 0.21823055374390327 -0.011009720568023913 -0.025880130998548564 -0.011009720568023913 0.38623134714255963" pbc="F F T" Ni 0.03926819 0.23010044 0.09566688 2.25943953 2.27282605 -0.85846706 Ni 1.62528982 1.62033173 0.30194695 -2.13621440 -2.26033375 -0.17731296 Ni 1.71182891 0.07255377 1.51129231 -1.54714482 1.71109280 0.59298279 Ni 0.01258782 1.66911338 1.30454100 1.42391969 -1.72358510 0.44279722