Ca 
 1.0000000000000000
     4.0279840327951524   -0.0000000000000000    0.0000000000000000
    -0.0000000000000000    4.0279840327951542    0.0000000000000000
    -0.0000000000000000    0.0000000000000000    3.5827060633301429
 Ca 
   2
Selective dynamics
Cartesian
  0.0000000000000000  0.0000000000000000  0.0000000000000000   T   T   T
  2.0139920163975766  2.0139920163975775  1.7913530316650719   T   T   T