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=9.765995268075885 stress="-2.838669147173608 0.1186886759699897 -0.04669538246961289 0.1186886759699897 -2.4794948744900642 0.6161770152481304 -0.04669538246961289 0.6161770152481304 -2.3602758445476093" pbc="T F F" Ni 0.08343331 0.22094491 0.23171545 -17.46824209 -18.04336072 -23.06961223 Ni 1.50893269 1.32183498 0.21219253 12.25214020 38.47476563 -31.60409236 Ni 1.42485375 0.12990665 1.28220450 16.53998414 -36.30205183 38.52138082 Ni 0.28278197 1.56210000 1.63362859 -11.32388224 15.87064691 16.15232377