lammps/examples/reax/RDX

Disclaimer:  Using these force fields for systems they 
have not been explicitly trained against may produce
unrealistic results.  Please see the README file in 
each subdirectory for more detailed information.

RDX/High Energy C/H/O/N:

     The follow information is reproduced from:

     "Strachan, A.; van Duin, A. C. T.; Chakraborty, D.; 
     Dasgupta, S.; Goddard III, W. A. Phys. Rev. Lett. 
     2003, 91, 098301"

     "Strachan, A.; Kober, E.; van Duin, A. C. T.; 
     Oxgaard, J.; Goddard III, W. A. J. Chem. Phys. 
     2005, 122, 054502"

     "Zhang, L.; van Duin, A.C.T.; Zybin, S.; 
     Goddard, W.A. J. Phys. Chem. B 2009, 113, 10770-10778"

     "Zhang, L.; Zybin, S.; van Duin, A.C.T.; Dasgupta, S.; 
     Goddard, W.A.; Kober, E. J. Phys. Chem. A. 2009, 
     113, 10619-10640"

     - The parameters of the nitramine ReaxFF are based 
     on a large number of ab initio QM calculations. 
     Over 40 reactions and over 1600 equilibrated molecules 
     have been used; they are designed to characterize 
     the atomic interactions under various environments 
     likely and unlikely high energy each atom can encounter. 
     The training set contains bond breaking and compression 
     curves for all possible bonds, angle and torsion bending 
     data for all possible cases, as well as crystal 
     data.

     - Please see the supplemental material from 
     Phys. Rev. Lett. 2003, 91, 098301 
     for a detailed description of the 
     parameterization of this force field.