Ca 
 1.0000000000000000
     3.9685077082349043    0.0000000000000000   -0.0000000000000000
    -1.9842538541174521    3.4368284904457904   -0.0000000000000000
     0.0000000000000000   -0.0000000000000000    6.4926681526225956
 Ca 
   2
Selective dynamics
Cartesian
 -0.0000000198425388  2.2912190050866208  1.6231670381556484   T   T   T
  1.9842538342749134  1.1456095082713582  4.8695011144669458   T   T   T