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=4.408573598908215 stress="-1.0599473460063373 -0.08680860104212314 -0.0938915127241028 -0.08680860104212314 -1.2713242635017352 0.1288332187551964 -0.0938915127241028 0.1288332187551964 -1.6400312531892178" free_energy=4.408573598908215 pbc="F F T" Ni 0.12263099 0.04530481 2.95206007 -11.63050245 -6.89744087 -3.18432382 Ti 1.62593290 1.34000708 2.89901191 11.92048065 18.68994460 -4.39578255 Ti 1.41812645 0.23212867 1.25294705 8.64503878 -20.24462818 7.03409407 Ni 0.17871475 1.69104769 1.42134613 -8.93501697 8.45212445 0.54601230