 Ca I
   1.0
     4.4341177700000003    0.0000000000000000    0.0000000000000000
    -2.2170588800000002    3.8400586200000002    0.0000000000000000
     0.0000000000000000    0.0000000000000000    7.0663561200000000
 Ca I
   1   2
Direct
   0.0000000000000000  0.0000000000000000  0.0000000000000000
   0.3333333300000000  0.6666666700000000  0.2493638400000000
   0.6666666700000000  0.3333333300000000  0.7506361600000000