 Ca Br
   1.0
     6.7366688600000000    0.0000000000000000    0.0000000000000000
     0.0000000000000000    6.7366688600000000    0.0000000000000000
     0.0000000000000000    0.0000000000000000    4.3226031100000002
 Ca Br
   2   4
Direct
   0.0000000000000000  0.0000000000000000  0.0000000000000000
   0.5000000000000000  0.5000000000000000  0.5000000000000000
   0.1977161900000000  0.8022838100000000  0.5000000000000000
   0.6977161900000000  0.6977161900000000  0.0000000000000000
   0.3022838100000000  0.3022838100000000  0.0000000000000000
   0.8022838100000000  0.1977161900000000  0.5000000000000000