Ca 1.0000000000000000 3.6851090709312553 0.0000000000000000 0.0000000000000000 0.0000000000000000 3.6851090709312553 0.0000000000000000 0.0000000000000000 0.0000000000000000 3.6851090709312553 Ca 1 Selective dynamics Cartesian 0.0000000000000000 0.0000000000000000 0.0000000000000000 T T T