Ca
 1.0000000000000000
     1.9692462555686101   -3.4108345672596001    0.0000000000000000
     1.9692462555686101    3.4108345672596001    0.0000000000000000
     0.0000000000000000    0.0000000000000000    6.4296419089234904
 Ca 
   2
Cartesian
  1.9692462555686110  1.1369448557532227  1.6074104772308730
  1.9692462555686097 -1.1369448557532220  4.8222314316926198