Ca 
 1.0000000000000000
     3.4234185312520604    0.0000000000000000    0.0000000000000000
    -1.7117092656260302    2.9647674158506949    0.0000000000000000
     0.0000000000000000    0.0000000000000000    5.5905305700115706
 Ca 
   2
Selective dynamics
Cartesian
 -0.0000000171170938  1.9765116204496880  1.3976326425028918   T   T   T
  1.7117092485089367  0.9882558151661226  4.1928979275086755   T   T   T