gas-H2:-6.76640685                                       
   1.00000000000000     
    20.0000000000000000    0.0000000000000000    0.0000000000000000
     0.0000000000000000   20.0000000000000000    0.0000000000000000
     0.0000000000000000    0.0000000000000000   20.0000000000000000
 H 
 2
Selective dynamics
Direct
  0.5002985987456958  0.5288823263480145  0.4985438974023094   T   T   T
  0.5372079012543034  0.5355696736519884  0.4992021025976899   T   T   T
 
