Ni 1.0000000000000000 2.4917235347453657 0.0000000000000000 0.0000000000000000 -1.2458617673726828 2.1578958802970427 0.0000000000000000 -0.0000000000000000 -0.0000000000000000 4.0619553697872712 Ni 2 Selective dynamics Cartesian -0.0000000124586178 1.4385972607243480 1.0154888424468178 T T T 1.2458617549140651 0.7192986339586673 3.0464665273404541 T T T