C 1.0000000000000000 2.5126486184896999 0.0000000000000000 0.0000000000000000 -1.2563243092448499 2.1760175343959545 -0.0000000000000000 0.0000000000000000 0.0000000000000000 3.3068999999999975 C 2 Selective dynamics Cartesian -0.0000000125632432 1.4506783635173617 0.0000000000000000 T T T 1.2563242966816068 0.7253391853853772 0.0000000000000000 T T T