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=0.8155543829900727 stress="-1.1650902502664178 -0.3918195417468127 0.614523829687003 -0.3918195417468127 -2.3248804932275435 0.7181684346922942 0.614523829687003 0.7181684346922942 -2.1485788665733683" free_energy=0.8155543829900727 pbc="F T T" Ni 0.22094491 0.23171545 0.18190327 -12.27230067 -5.51552100 -6.44598827 Ni 1.32183498 1.71219253 2.92485375 11.12412703 -23.40963365 20.44138366 Ni 1.62990665 2.78220450 1.78278197 12.36975218 26.11621467 -26.35462610 Ni 0.06210000 1.63362859 1.32702941 -11.22157854 2.80893998 12.35923072