Ca 
 1.0000000000000000
     3.8326799669879428   -0.0000000000000000   -0.0000000000000000
    -1.9163399834939714    3.3191982159872624    0.0000000000000000
    -0.0000000000000000   -0.0000000000000000    3.6187354443956208
 Ca 
   1
Selective dynamics
Cartesian
  0.0000000000000000  0.0000000000000000  0.0000000000000000   T   T   T