He 1.0000000000000000 2.8847999999999789 0.0000000000000000 0.0000000000000000 -1.4423999999999895 2.4983100848373301 0.0000000000000000 0.0000000000000000 0.0000000000000000 4.7169999999999996 He 2 Selective dynamics Cartesian -0.0000000144240001 1.6655400648859204 1.1792499999999999 T T T 1.4423999855759897 0.8327700366068106 3.5377500000000000 T T T