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=-0.8189370554013563 stress="-1.548676724157842 0.5125199964693143 0.32862136134684894 0.5125199964693143 -1.4187773440046627 0.2158026827522049 0.32862136134684894 0.2158026827522049 -1.2423609560700637" pbc="F T F" Ni 0.17089611 -0.02988876 0.26235339 -12.21809365 5.53287929 -10.90167816 Ni 1.34838096 1.71005355 0.21211731 23.50925648 -2.68087599 -17.48889539 Ni 1.44968690 0.29594673 1.65710459 12.35179012 -8.67283786 8.04607386 Ni 0.24122900 1.44735534 1.31634348 -23.64295296 5.82083457 20.34449969