LAMMPS (27 Mar 2011)
# NaCl test problem for embedded atom method (EIM) potential

units		metal
atom_style      atomic

boundary	p p p

lattice         diamond 5.0
Lattice spacing in x,y,z = 5 5 5
read_data       data.eim
  orthogonal box = (-0.5 -0.5 -0.5) to (35.54 35.54 35.54)
  1 by 2 by 2 processor grid
  2000 atoms
  2000 velocities

pair_style      eim
pair_coeff      * * Na Cl ffield.eim Na Cl 

neighbor	0.3 bin
neigh_modify	delay 0

timestep        0.001
thermo_style    custom step pe pxx pyy pzz temp
thermo          50

velocity        all create 1400.0 43454 dist gaussian mom yes
fix             int all npt temp 1400.0 300.0 0.1 aniso 0.0 0.0 0.1

run             100
Memory usage per processor = 1.87326 Mbytes
Step PotEng Pxx Pyy Pzz Temp 
       0   -5660.4738   -118151.29   -117613.39   -118064.41         1400 
      50   -5774.4337    865.73356    874.29837    679.99459    888.89401 
     100   -5752.6028    652.10345    601.94922    670.57848    780.52664 
Loop time of 0.527222 on 4 procs for 100 steps with 2000 atoms

Pair  time (%) = 0.448031 (84.9795)
Neigh time (%) = 0.0419526 (7.9573)
Comm  time (%) = 0.0275348 (5.22263)
Outpt time (%) = 0.000249505 (0.0473245)
Other time (%) = 0.00945419 (1.79321)

Nlocal:    500 ave 500 max 500 min
Histogram: 4 0 0 0 0 0 0 0 0 0
Nghost:    2149.75 ave 2152 max 2148 min
Histogram: 2 0 0 0 0 0 0 1 0 1
Neighs:    24968.8 ave 25028 max 24876 min
Histogram: 1 0 0 0 0 0 1 1 0 1

Total # of neighbors = 99875
Ave neighs/atom = 49.9375
Neighbor list builds = 30
Dangerous builds = 10
