LAMMPS (29 Jun 2012)
# bulk Si via Tersoff

units		metal
atom_style	atomic

lattice		diamond 5.431
Lattice spacing in x,y,z = 5.431 5.431 5.431
region		box block 0 20 0 20 0 10
create_box	1 box
Created orthogonal box = (0 0 0) to (108.62 108.62 54.31)
  2 by 2 by 1 MPI processor grid
create_atoms	1 box
Created 32000 atoms

pair_style	tersoff
pair_coeff	* * Si.tersoff Si
mass            1 28.06

velocity	all create 1000.0 376847 loop geom

neighbor	1.0 bin
neigh_modify    delay 5 every 1

fix		1 all nve

timestep	0.001

run		100
Memory usage per processor = 3.7734 Mbytes
Step Temp E_pair E_mol TotEng Press 
       0         1000   -148173.19            0   -144036.99    7019.4434 
     100    430.57813   -145815.61            0   -144034.65   -14550.734 
Loop time of 3.05629 on 4 procs for 100 steps with 32000 atoms

Pair  time (%) = 2.97947 (97.4868)
Neigh time (%) = 0.0181618 (0.594243)
Comm  time (%) = 0.0390878 (1.27893)
Outpt time (%) = 4.84586e-05 (0.00158554)
Other time (%) = 0.0195136 (0.638475)

Nlocal:    8000 ave 8005 max 7993 min
Histogram: 1 0 0 0 0 1 0 1 0 1
Nghost:    4580.25 ave 4593 max 4567 min
Histogram: 1 0 0 1 0 0 0 1 0 1
Neighs:    0 ave 0 max 0 min
Histogram: 4 0 0 0 0 0 0 0 0 0
FullNghs:  132625 ave 132785 max 132562 min
Histogram: 2 1 0 0 0 0 0 0 0 1

Total # of neighbors = 530500
Ave neighs/atom = 16.5781
Neighbor list builds = 2
Dangerous builds = 0
