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=1.1801986364500916 stress="-22.920520859200288 0.7940460916357048 1.0223725740284273 0.7940460916357048 -18.876362736154448 0.11710709820686382 1.0223725740284273 0.11710709820686382 -24.619844125677634" pbc="F F F" Ti 0.23171545 0.18190327 -0.17816502 -6.52524711 -6.14937552 -8.65123842 Ti 1.71219253 1.42485375 0.12990665 8.58068312 7.60665077 -6.64178808 Ti 1.28220450 0.28278197 1.56210000 8.71984586 -10.62050633 8.97693164 Ti 0.13362859 1.32702941 1.57034430 -10.77528188 9.16323107 6.31609487