Ca 
 1.0000000000000000
     3.5685959390818631    0.0000000000000000    0.0000000000000000
    -0.0000000000000000    3.5685959390818631   -0.0000000000000001
    -0.0000000000000000   -0.0000000000000001    3.5685959390818627
 Ca 
   2
Selective dynamics
Cartesian
  0.0000000000000000  0.0000000000000000  0.0000000000000000   T   T   T
  1.7842979695409316  1.7842979695409316  1.7842979695409309   T   T   T