Cu H 1.0000000000000000 2.6035919384970843 -0.0000000000000000 0.0000000000000000 -1.3017959692485421 2.2547767598268469 -0.0000000000000000 -0.0000000000000000 0.0000000000000000 4.2205509869369573 Cu H 2 2 Selective dynamics Cartesian -0.0000000130179602 1.5031845140671540 4.2157157269367040 T T T 1.3017959562305830 0.7515922607915383 2.1054402334682254 T T T -0.0000000130179602 1.5031845140671540 1.5875418801015935 T T T 1.3017959562305830 0.7515922607915383 3.6978173735700723 T T T