Ti 1.0000000000000000 2.9304937210413349 0.0000000000000000 0.0000000000000000 -1.4652468605206674 2.5378820080525841 0.0000000000000000 0.0000000000000000 0.0000000000000000 4.6782861036853411 Ti 2 Selective dynamics Cartesian -0.0000000146524694 1.6919213471613297 1.1695715259213351 T T T 1.4652468458681989 0.8459606778104682 3.5087145777640054 T T T