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=13.505269537809628 stress="-1.8427371161731643 -0.3514092315821373 0.48729760144422474 -0.3514092315821373 -2.6510909038752533 0.4522003582364122 0.48729760144422474 0.4522003582364122 -2.4044545976096394" free_energy=13.505269537809628 pbc="F T T" Ni 0.22094491 0.23171545 0.18190327 -17.19308215 0.26534340 -5.52202636 Ni 1.32183498 1.71219253 -0.07514625 17.23464808 -17.34193083 11.66665509 Ni 1.62990665 -0.21779550 1.78278197 19.62859817 19.95918153 -17.20670266 Ni 0.06210000 1.70397289 1.32702941 -19.67016409 -2.88259410 11.06207393