LAMMPS (1 Feb 2014)
# 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 MPI processor grid
  reading atoms ...
  960 atoms

pair_style	reax/c lmp_control
pair_coeff	* * ffield.reax.AuO O Au

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 = 84.6159 Mbytes
Step Temp E_pair E_mol TotEng Press 
       0            0   -72201.743            0   -72201.743   -166.19729 
     100    69.043332    -72076.31            0   -71878.942    22702.488 
Loop time of 6.28791 on 4 procs for 100 steps with 960 atoms

Pair  time (%) = 5.49054 (87.319)
Neigh time (%) = 0.240415 (3.82344)
Comm  time (%) = 0.0205393 (0.326648)
Outpt time (%) = 2.40207e-05 (0.000382014)
Other time (%) = 0.536393 (8.53055)

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:    105979 ave 105979 max 105979 min
Histogram: 4 0 0 0 0 0 0 0 0 0

Total # of neighbors = 423916
Ave neighs/atom = 441.579
Neighbor list builds = 10
Dangerous builds = 0

Please see the log.cite file for references relevant to this simulation

