Ni 1.0000000000000000 2.4660307190193675 0.0000000000000000 0.0000000000000000 -1.2330153595096838 2.1356452491835762 0.0000000000000000 -0.0000000000000000 -0.0000000000000000 4.0249641936317611 Ni 2 Selective dynamics Cartesian -0.0000000123301537 1.4237635065745353 1.0062410484079405 T T T 1.2330153471795298 0.7118817568466763 3.0187231452238210 T T T