Ca
 1.0000000000000000
     0.0000000000000000    2.7860756515118301    2.7860756515118301
     2.7860756515118301    0.0000000000000000    2.7860756515118301
     2.7860756515118301    2.7860756515118301    0.0000000000000000
 Ca 
   1
Cartesian
  0.0000000000000000  0.0000000000000000  0.0000000000000000