Ca 
 1.0000000000000000
     3.9698668070587484   -0.0000000000000000   -0.0000000000000000
    -1.9849334035293742    3.4380055045534923   -0.0000000000000000
     0.0000000000000000    0.0000000000000000    6.8674327492064746
 Ca 
   2
Selective dynamics
Cartesian
 -0.0000000198493346  2.2920036811623450  1.7168581873016184   T   T   T
  1.9849333836800398  1.1460018463111818  5.1505745619048557   T   T   T