Ti 1.0000000000000000 2.9486860585550265 0.0000000000000000 0.0000000000000000 -1.4743430292775133 2.5536370344936645 0.0000000000000000 -0.0000000000000000 -0.0000000000000000 4.6983048470935058 Ti 2 Selective dynamics Cartesian -0.0000000147434317 1.7024246981745665 1.1745762117733765 T T T 1.4743430145340826 0.8512123533433453 3.5237286353201278 T T T