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=5.167628161327633 stress="-2.134119761942652 0.053071064176942365 0.7246634250084595 0.053071064176942365 -2.47652022593115 -0.18785235273039277 0.7246634250084595 -0.18785235273039277 -3.2734102726812777" free_energy=5.167628161327633 pbc="F T T" N 0.12655369 2.78662847 2.80630564 -4.28926978 1.85825637 -1.35879884 Ti 1.63413190 1.21642464 0.12109083 23.38631505 0.69275784 -25.44013237 Al 1.53607842 2.82211538 1.48813878 17.27210124 -1.72565302 12.78721851 Al 0.18102060 1.51556730 1.28907838 -36.36914651 -0.82536119 14.01171270