Ca 
 1.0000000000000000
     3.1939580447487148   -0.0000000000000001   -0.0000000000000000
    -1.5969790223743574    2.7660488053740599   -0.0000000000000000
     0.0000000000000000    0.0000000000000000    5.2526389499566708
 Ca 
   2
Selective dynamics
Cartesian
 -0.0000000159697906  1.8440325461362026  1.3131597374891670   T   T   T
  1.5969790064045670  0.9220162776781822  3.9394792124675022   T   T   T