Ti 1.0000000000000000 2.9453374018895868 0.0000000000000000 0.0000000000000000 -1.4726687009447934 2.5507370127528390 -0.0000000000000000 -0.0000000000000000 -0.0000000000000000 4.6874080080459306 Ti 2 Selective dynamics Cartesian -0.0000000147266876 1.7004913503376831 1.1718520020114824 T T T 1.4726686862181064 0.8502456794200701 3.5155560060344468 T T T