# rx heats of formation for various molecules # multiple entries can be added to this file, LAMMPS reads the ones it needs # the entries are in LAMMPS "metal" units (eV) # Be sure the units are consistent with your input file # format of a single entry (one or more lines): # species DeltaHformation rdx 1.989907438211819 h2 0.000000000000000 no2 0.343004076201018 n2 0.000000000000000 hcn 1.400635733970104 no 0.935781955892458 h2o -2.506184777415379 co -1.145533746031845 co2 -4.078501848437456