 C N O Sm
   1.0
     3.8060044799999999    0.0000000000000000    0.0000000000000000
    -1.9030022300000000    3.2960965600000001    0.0000000000000000
     0.0000000000000000    0.0000000000000000    8.2131723500000007
 C N O Sm
   1   2   2   2
Direct
   0.0000000000000000  0.0000000000000000  0.5000000000000000
   0.0000000000000000  0.0000000000000000  0.6503967300000000
   0.0000000000000000  0.0000000000000000  0.3496032700000000
   0.6666666700000000  0.3333333300000000  0.8971985300000000
   0.3333333300000000  0.6666666700000000  0.1028014700000000
   0.6666666700000000  0.3333333300000000  0.1789946300000000
   0.3333333300000000  0.6666666700000000  0.8210053700000000