Ca 
 1.0000000000000000
     4.4194199328304027   -0.0000000000000000   -0.0000000000000000
    -0.0000000000000000    4.4194199328304027   -0.0000000000000000
    -0.0000000000000000   -0.0000000000000000    4.4194199328304027
 Ca 
   2
Selective dynamics
Cartesian
  0.0000000000000000  0.0000000000000000  0.0000000000000000   T   T   T
  2.2097099664152013  2.2097099664152013  2.2097099664152013   T   T   T