 Ca H N
   1.0
     3.4935717799999999    0.0000000000000000    0.0000000000000000
     0.0000000000000000    3.4935717799999999    0.0000000000000000
     0.0000000000000000    0.0000000000000000    5.6246582299999996
 Ca H N
   2   2   2
Direct
   0.5000000000000000  0.5000000000000000  0.4474611900000000
   0.0000000000000000  0.0000000000000000  0.9474611900000000
   0.0000000000000000  0.0000000000000000  0.3588071900000000
   0.5000000000000000  0.5000000000000000  0.8588071900000001
   0.5000000000000000  0.5000000000000000  0.0437316100000000
   0.0000000000000000  0.0000000000000000  0.5437316100000000