Ca 
 1.0000000000000000
     4.4371813064575356    0.0000000000000000    0.0000000000000000
     0.0000000000000000    4.4371813064575365   -0.0000000000000000
    -0.0000000000000000   -0.0000000000000000    4.9512360445072980
 Ca 
   2
Selective dynamics
Cartesian
  0.0000000000000000  0.0000000000000000  0.0000000000000000   T   T   T
  2.2185906532287678  2.2185906532287678  2.4756180222536481   T   T   T