Ba 1.0000000000000000 4.4772901070985265 0.0000000000000000 0.0000000000000000 -2.2386450535492632 3.8774469728600742 0.0000000000000000 0.0000000000000000 -0.0000000000000000 7.3138756455192304 Ba 2 Selective dynamics Cartesian -0.0000000223864509 2.5849646614982058 1.8284689113798083 T T T 2.2386450311628114 1.2924823372115153 5.4854067341394233 T T T