H2O _2                                                                          
 0.5291800
  15.0000000   0.0000000   0.0000000
   0.0000000  15.0000000   0.0000000
   0.0000000   0.0000000  15.0000000
    1    2
selective dynamics
cart
   0.0000000   0.0000000   0.0000000  T  T  F
   1.1269567  13.5477107   0.0000000  T  T  F
   1.1269567   1.4522893   0.0000000  T  T  F
