Ca 
 1.0000000000000000
     3.6728742497997215    0.0000000000000000    0.0000000000000000
    -1.8364371248998608    3.1808024052322716    0.0000000000000000
    -0.0000000000000000   -0.0000000000000000    3.6795172131873204
 Ca 
   1
Selective dynamics
Cartesian
  0.0000000000000000  0.0000000000000000  0.0000000000000000   T   T   T