Cd S 1.0000000000000000 4.1259679192766061 -0.0000000000000000 0.0000000000000000 -2.0629839596383031 3.5731930332931614 -0.0000000000000000 0.0000000000000000 -0.0000000000000000 6.7376774012316618 Cd S 2 2 Selective dynamics Cartesian -0.0000000206298396 2.3821287007727507 0.0067376662583162 T T T 2.0629839390084643 1.1910643563416972 3.3755763668741472 T T T -0.0000000206298396 2.3821287007727507 2.5333666912663673 T T T 2.0629839390084643 1.1910643563416972 5.9022053918821982 T T T