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=-10.004647374228474 stress="-3.5629662838645775 1.2038321480762373 1.5477140440674604 1.2038321480762373 -2.4267923380512073 0.30712939880852597 1.5477140440674604 0.30712939880852597 -2.0853475213150015" pbc="F F F" Ni -0.05174389 0.03282148 -0.22107074 0.08676527 -0.36439573 -0.26491124 Ni 1.50082602 1.74624097 0.14302402 1.32129270 0.42107540 -1.22431869 Ni 1.35498893 0.11042859 1.70947124 0.92037760 -1.24202196 0.32790700 Ni -0.14487149 1.55280714 1.41333883 -2.32843557 1.18534229 1.16132293