Ca 
 1.0000000000000000
     3.9384925078300017   -0.0000000000000000    0.0000000000000000
    -1.9692462539150009    3.4108345643954645   -0.0000000000000000
     0.0000000000000000   -0.0000000000000000    6.4296419102603304
 Ca 
   2
Selective dynamics
Cartesian
 -0.0000000196924631  2.2738897209664239  1.6074104775650817   T   T   T
  1.9692462342225385  1.1369448661679364  4.8222314326952480   T   T   T