LAMMPS (18 Jan 2011)
# REAX potential for AuO system
# .....

units		real

atom_style	charge
read_data	data.AuO
  orthogonal box = (0 0 0) to (26.1562 21.5425 24.0025)
  2 by 1 by 2 processor grid
  960 atoms

pair_style	reax/c lmp_control
pair_coeff	* * ffield.reax.AuO 2 3

neighbor	2 bin
neigh_modify	every 10 delay 0 check no

fix		1 all nve
fix             2 all qeq/reax 1 0.0 10.0 1e-6 param.qeq
fix             3 all temp/berendsen 500.0 500.0 100.0

timestep	0.25

dump		1 all atom 30 dump.reax.auo

run		100
Memory usage per processor = 5.18368 Mbytes
Step Temp E_pair E_mol TotEng Press 
       0            0   -72201.565            0   -72201.565   -129.90134 
     100    68.887528    -72075.82            0   -71878.899    22598.686 
Loop time of 42.8697 on 4 procs for 100 steps with 960 atoms

Pair  time (%) = 37.8474 (88.2849)
Neigh time (%) = 0.0749036 (0.174724)
Comm  time (%) = 1.0132 (2.36345)
Outpt time (%) = 0.00368738 (0.00860138)
Other time (%) = 3.93044 (9.16835)

Nlocal:    240 ave 240 max 240 min
Histogram: 4 0 0 0 0 0 0 0 0 0
Nghost:    3981 ave 3981 max 3981 min
Histogram: 4 0 0 0 0 0 0 0 0 0
Neighs:    105988 ave 105988 max 105988 min
Histogram: 4 0 0 0 0 0 0 0 0 0

Total # of neighbors = 423952
Ave neighs/atom = 441.617
Neighbor list builds = 10
Dangerous builds = 0
