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=14.0155749785252 stress="-1.843342759848571 -0.3513484861409075 0.48750842115140325 -0.3513484861409075 -2.6715041372341775 0.45275062583234393 0.48750842115140325 0.45275062583234393 -2.4273067644249697" free_energy=14.0155749785252 pbc="F T T" Ni 0.22094491 0.23171545 0.18190327 -17.19926925 0.27076562 -5.50596898 Ni 1.32183498 1.71219253 -0.07514625 17.23885056 -17.34278094 11.65535039 Ni 1.62990665 -0.21779550 1.78278197 19.63627842 19.95826911 -17.20287683 Ni 0.06210000 1.70397289 1.32702941 -19.67585973 -2.88625379 11.05349543