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.

F/C/H

     The follow information is reproduced from:

     "C_F_H (Fluorographene): Sandeep Kumar Singh, S. Goverapet Srinivasan, M. Neek-Amal, S. Costamagna, Adri C. T. van Duin, and F. M. Peeters Phys. Rev. B 87, 104114 (2013)."

     - The ReaxFF force field parameters have been fit 

     to a large quantum mechanics (QM) training set containing 

     monolayer of fluorographene at various temperature.

# REAX potential for Nitroamines system

# .....

dimension      3

boundary  p p p

units		real

atom_style	charge

read_data	data.FC

pair_style	reax/c NULL

pair_coeff	* * ffield.reax.FC 1 6

neighbor	2. bin

neigh_modify	every 10 delay 0 check no

fix             2 all qeq/reax 1 0.0 10.0 1e-6 reax/c

fix		1 all npt temp 100.0 100.0 10.0 iso 1.0 1. 2000.0

timestep   0.2

thermo_style custom step temp epair etotal press 

thermo     5000

dump      4 all xyz 5000 dumpnpt.xyz

run        50000

unfix           1

fix            1  all nvt temp 100.0 100.0 100.0

thermo_style custom step temp epair etotal press 

thermo     5000

timestep	0.2

dump		5 all xyz 5000 dumpnvt.xyz

dump            6 all custom 5000 dumpidtype.dat id type x y z 

run		1000000