Kr 1.0000000000000000 3.9810832284234814 0.0000000000000000 0.0000000000000000 -1.9905416142117407 3.4477192103949008 0.0000000000000000 -0.0000000000000000 -0.0000000000000000 6.5001079662123757 Kr 2 Selective dynamics Cartesian -0.0000000199054165 2.2984794850889982 1.6250269915530939 T T T 1.9905415943063258 1.1492397482906986 4.8750809746592809 T T T