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=5.768784146018952 stress="-1.4197755676456727 0.1477291589717395 -0.0841467583148039 0.1477291589717395 -1.5584231515932803 0.019082259940557064 -0.0841467583148039 0.019082259940557064 -1.526365763851281" free_energy=5.768784146018952 pbc="F T F" Ti 0.04737131 0.03238783 0.24404962 -14.60302372 -7.91838765 -14.95148167 Ni 1.36810690 1.39130086 0.09119645 15.93384452 4.50957812 -14.06649594 Ti 1.29640878 0.21456242 1.77913633 15.72008018 -9.36905041 15.16760674 Ni 0.18492541 1.33178173 1.38323780 -17.05090098 12.77785995 13.85037087