Ca 
 1.0000000000000000
     3.5862650739587449    0.0000000000000000    0.0000000000000000
    -1.7931325369793725    3.1057966587531518    0.0000000000000000
     0.0000000000000000    0.0000000000000000    3.4133839631453284
 Ca 
   1
Selective dynamics
Cartesian
  0.0000000000000000  0.0000000000000000  0.0000000000000000   T   T   T