Ti 1.0000000000000000 2.9304937209013238 0.0000000000000000 0.0000000000000000 -1.4652468604506619 2.5378820079313322 0.0000000000000000 -0.0000000000000000 -0.0000000000000000 4.6782861035197136 Ti 2 Selective dynamics Cartesian -0.0000000146524689 1.6919213470804944 1.1695715258799284 T T T 1.4652468457981942 0.8459606777700509 3.5087145776397852 T T T