Ca 1.0000000000000000 4.3758702908676268 0.0000000000000000 0.0000000000000000 0.0000000000000000 4.3758702908676268 -0.0000000000000000 -0.0000000000000000 -0.0000000000000000 4.3758702908676268 Ca 2 Selective dynamics Cartesian 0.0000000000000000 0.0000000000000000 0.0000000000000000 T T T 2.1879351454338134 2.1879351454338134 2.1879351454338134 T T T