$Title_Labels Title1='H+H2 reactive scattering using PK2 potential' Title2='channel(1)=HH+H, channel(2)=HH+H, channel(3)=HH+H' Title3='H3 Porter-Karplus PES' $END Title_Labels $PotentialNames PES_Name='H3 Porter-Karplus PES ' $END PotentialNames $Atoms AtomicSymbol= 'H','H','H' MassNumber= 1, 1, 1 $END AToms