LAMMPS (30 Aug 2013)
units		metal
atom_style	atomic
# create domain
lattice         fcc 3.615 origin 0.25 0.25 0.25
Lattice spacing in x,y,z = 3.615 3.615 3.615
region		simRegion block -18 18 -3 3 -3 3
region		feRegion block -18 18 -3 3 -3 3
boundary	f p p
create_box	1 simRegion
Created orthogonal box = (-65.07 -10.845 -10.845) to (65.07 10.845 10.845)
  4 by 1 by 1 MPI processor grid
# create atoms
region		mdRegion block -17 17 -3 3 -3 3
create_atoms	1 region mdRegion
Created 4896 atoms
mass		1 63.550
# specify interal atoms
region		mdInternal block -16 16 -3 3 -3 3
group		internal region mdInternal
4608 atoms in group internal
# specify inter-atomic potential
pair_style	eam
pair_coeff  	* * ../../../../potentials/Cu_u3.eam
# specify neighbor/re-neighboring parameters
neighbor	0.3 bin
neigh_modify	every 10 delay 0 check no
# setup thermal output
thermo		10
thermo_style custom step pe ke press lx ly lz
#               ID  group atc PhysicsType ParameterFile
fix             AtC internal atc hardy
ATC: constructing kernel field estimate
 ATC: version 2.0
 ATC: peratom PE compute created with ID: 3
fix_modify      AtC kernel step 9.0375
# fix_modify      AtC atom_element_map eulerian 1
fix_modify      AtC fields none
fix_modify      AtC fields add mass_density displacement stress internal_energy
fix_modify      AtC gradients add displacement
# fix_modify	AtC  on_the_fly kernel on
# fix_modify	AtC  on_the_fly bond on
#               ID  part keywords    nx ny nz region
fix_modify      AtC mesh create 9 1 1 feRegion f p p
 ATC: created uniform mesh with 40 nodes, 10 unique nodes, and 9 elements
# equilibrate MD field
timestep 0.001
reset_timestep	0
run 		1
Setting up run ...
 ATC: computing bond matrix ..........done
Memory usage per processor = 34.3603 Mbytes
Step PotEng KinEng Press Lx Ly Lz 
       0   -17256.022            0   -2117.8338       130.14        21.69        21.69 
       1   -17256.022            0   -2117.8338       130.14        21.69        21.69 
Loop time of 0.00491542 on 4 procs for 1 steps with 4896 atoms

Pair  time (%) = 0.00442022 (89.9257)
Neigh time (%) = 0 (0)
Comm  time (%) = 0.000348747 (7.09496)
Outpt time (%) = 6.56247e-05 (1.33508)
Other time (%) = 8.08239e-05 (1.64429)

Nlocal:    1224 ave 1296 max 1152 min
Histogram: 2 0 0 0 0 0 0 0 0 2
Nghost:    2259 ave 2592 max 1926 min
Histogram: 2 0 0 0 0 0 0 0 0 2
Neighs:    32508 ave 34992 max 29952 min
Histogram: 2 0 0 0 0 0 0 0 0 2
FullNghs:  65016 ave 69984 max 60048 min
Histogram: 2 0 0 0 0 0 0 0 0 2

Total # of neighbors = 260064
Ave neighs/atom = 53.1176
Neighbor list builds = 0
Dangerous builds = 0
displace_atoms	all ramp x -0.6507 0.6507 x -65.07 65.07
Displacing atoms ...
fix_modify	AtC  output eam_unistrain_stepFE 1 text
 ATC: Warning : text output can create _LARGE_ files
 ATC: output custom names:

run		1
Setting up run ...
 ATC: computing bond matrix ..........done
Memory usage per processor = 34.3603 Mbytes
Step PotEng KinEng Press Lx Ly Lz 
       1   -17252.771            0   -14787.592       130.14        21.69        21.69 
       2   -17252.771            0   -14787.592       130.14        21.69        21.69 
Loop time of 0.0609433 on 4 procs for 1 steps with 4896 atoms

Pair  time (%) = 0.00458765 (7.52773)
Neigh time (%) = 0 (0)
Comm  time (%) = 0.000336945 (0.552883)
Outpt time (%) = 0.000727952 (1.19447)
Other time (%) = 0.0552908 (90.7249)

Nlocal:    1224 ave 1296 max 1152 min
Histogram: 2 0 0 0 0 0 0 0 0 2
Nghost:    2259 ave 2592 max 1926 min
Histogram: 2 0 0 0 0 0 0 0 0 2
Neighs:    32508 ave 34992 max 29952 min
Histogram: 2 0 0 0 0 0 0 0 0 2
FullNghs:  65016 ave 69984 max 60048 min
Histogram: 2 0 0 0 0 0 0 0 0 2

Total # of neighbors = 260064
Ave neighs/atom = 53.1176
Neighbor list builds = 0
Dangerous builds = 0
