Ca 
 1.0000000000000000
     3.3997803231173966    0.0000000000000001    0.0000000000000000
    -1.6998901615586983    2.9442961271061319   -0.0000000000000000
     0.0000000000000000    0.0000000000000000    3.3278706736741892
 Ca 
   1
Selective dynamics
Cartesian
  0.0000000000000000  0.0000000000000000  0.0000000000000000   T   T   T