Ca 
 1.0000000000000000
     5.3955658509511366   -0.0000000000000000   -0.0000000000000000
    -0.0000000000000000    5.3955658509511366   -0.0000000000000000
     0.0000000000000000   -0.0000000000000000    5.3955658509511366
 Ca 
   1
Selective dynamics
Cartesian
  0.0000000000000000  0.0000000000000000  0.0000000000000000   T   T   T