Ca 
 1.0000000000000000
     4.4577731569941044    0.0000000000000000    0.0000000000000000
    -0.0000000000000000    4.4577731569941044    0.0000000000000000
    -0.0000000000000000    0.0000000000000000    4.4577731569941044
 Ca 
   2
Selective dynamics
Cartesian
  0.0000000000000000  0.0000000000000000  0.0000000000000000   T   T   T
  2.2288865784970522  2.2288865784970522  2.2288865784970522   T   T   T