Ni 1.0000000000000000 2.4908589287455887 0.0000000000000000 0.0000000000000000 -1.2454294643727943 2.1571471095369721 0.0000000000000000 -0.0000000000000000 0.0000000000000000 4.0922053237107141 Ni 2 Selective dynamics Cartesian -0.0000000124542949 1.4380980802151382 1.0230513309276787 T T T 1.2454294519184996 0.7190490437028144 3.0691539927830367 T T T