 C Ca
   1.0
     7.0684880100000003    0.0000000000000000    0.0026405500000000
     0.0000000000000000    3.7749339100000001    0.0000000000000000
    -2.1351268000000001    0.0000000000000000    7.0322665000000004
 C Ca
   8   4
Direct
   0.0803861400000000  0.0000000000000000  0.0655238400000000
   0.4196138600000000  0.5000000000000000  0.9344761600000000
   0.4506361600000000  0.0000000000000000  0.5589604500000001
   0.0493638400000000  0.5000000000000000  0.4410395500000000
   0.5803861400000000  0.5000000000000000  0.0655238400000000
   0.9196138600000000  0.0000000000000000  0.9344761600000000
   0.9506361600000000  0.5000000000000000  0.5589604500000001
   0.5493638400000000  0.0000000000000000  0.4410395500000000
   0.2996693700000000  0.5000000000000000  0.2534611000000000
   0.2003306300000000  0.0000000000000000  0.7465389000000000
   0.7996693699999999  0.0000000000000000  0.2534611000000000
   0.7003306300000001  0.5000000000000000  0.7465389000000000