 C O Ca
   1.0
     4.9995953899999996    0.0000000000000000    0.0000000000000000
    -2.4997976999999998    4.3297766199999996    0.0000000000000000
     0.0000000000000000    0.0000000000000000   16.8115388800000005
 C O Ca
   6  18   6
Direct
   0.3333333300000000  0.6666666700000000  0.4166666700000000
   0.6666666700000000  0.3333333300000000  0.5833333300000000
   0.0000000000000000  0.0000000000000000  0.7500000000000000
   0.3333333300000000  0.6666666700000000  0.9166666700000000
   0.6666666700000000  0.3333333300000000  0.0833333300000000
   0.0000000000000000  0.0000000000000000  0.2500000000000000
   0.5922319899999999  0.9255653200000000  0.4166666700000000
   0.0744346800000000  0.6666666700000000  0.4166666700000000
   0.6666666700000000  0.5922319899999999  0.5833333300000000
   0.4077680100000000  0.0744346800000000  0.5833333300000000
   0.9255653200000000  0.3333333300000000  0.5833333300000000
   0.3333333300000000  0.4077680100000000  0.4166666700000000
   0.2588986600000000  0.2588986600000000  0.7500000000000000
   0.7411013399999999  0.0000000000000000  0.7500000000000000
   0.3333333300000000  0.9255653200000000  0.9166666700000000
   0.0744346800000000  0.4077680100000000  0.9166666700000000
   0.5922319899999999  0.6666666700000000  0.9166666700000000
   0.0000000000000000  0.7411013399999999  0.7500000000000000
   0.9255653200000000  0.5922319899999999  0.0833333300000000
   0.4077680100000000  0.3333333300000000  0.0833333300000000
   0.0000000000000000  0.2588986600000000  0.2500000000000000
   0.7411013399999999  0.7411013399999999  0.2500000000000000
   0.2588986600000000  0.0000000000000000  0.2500000000000000
   0.6666666700000000  0.0744346800000000  0.0833333300000000
   0.0000000000000000  0.0000000000000000  0.5000000000000000
   0.6666666700000000  0.3333333300000000  0.3333333300000000
   0.6666666700000000  0.3333333300000000  0.8333333300000000
   0.3333333300000000  0.6666666700000000  0.6666666700000000
   0.3333333300000000  0.6666666700000000  0.1666666700000000
   0.0000000000000000  0.0000000000000000  0.0000000000000000