C 1.0000000000000000 2.5161851077505628 0.0000000000000000 -0.0000000000000000 -1.2580925538752814 2.1790802239360723 0.0000000000000000 0.0000000000000000 -0.0000000000000000 3.9884999999999988 C 2 Selective dynamics Cartesian -0.0000000125809256 1.4527201565543153 0.0000000000000000 T T T 1.2580925412943560 0.7263600819089581 0.0000000000000000 T T T