Ca 
 1.0000000000000000
     4.4129998517461217   -0.0000000000000000   -0.0000000000000000
    -0.0000000000000000    4.4129998517461217    0.0000000000000000
     0.0000000000000000    0.0000000000000000    4.4129998517461217
 Ca 
   2
Selective dynamics
Cartesian
  0.0000000000000000  0.0000000000000000  0.0000000000000000   T   T   T
  2.2064999258730609  2.2064999258730609  2.2064999258730609   T   T   T