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:Z:I:1:forces:R:3 energy=7.343229823006551 pbc="T F F" Ti 0.10609294 -0.03396003 -0.19401975 22 -8.14185831 -21.17932016 -16.26250594 Ti 1.32157598 1.51361598 -0.14801295 22 4.96963384 21.23958045 -19.81191910 Ti 1.47567541 0.06329927 1.43745442 22 -3.77856294 -22.66826225 18.00855019 Ti -0.22153142 1.49451428 1.34126820 22 6.95078740 22.60800197 18.06587485