LAMMPS (18 Jun 2019)
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:88)
  using 1 OpenMP thread(s) per MPI task
atom_style charge
neigh_modify one 5000
clear
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:88)
  using 1 OpenMP thread(s) per MPI task
# The units we assume we'll use. The kim-lammps-preprocessor
# may swap this line out if running against a Simulator Model
# whose units are not 'metal'
units              metal
# Variables that can be adjusted by kim-lammps-preprocessor# to switch unit sets for Simulator Models
variable _u_distance equal 1.0
variable _u_energy equal 1.0
variable _u_mass equal 1.0
variable _u_pressure equal 1.0
dimension          3
boundary           p p p
# This line may be swapped out by kim-lammps-preprocessor if
# running against a Simulator Model whose atom_style is not
# 'atomic'
atom_style charge
# Adjust input variables for possible units changes with Simulator Models
variable lattice_constant_converted equal 4.047059699892998*${_u_distance}
variable lattice_constant_converted equal 4.047059699892998*1
variable xmin_converted equal 0.0*${_u_distance}
variable xmin_converted equal 0.0*1
variable xmax_converted equal 4.047059699892998*${_u_distance}
variable xmax_converted equal 4.047059699892998*1
variable ymin_converted equal -40.47464405862987*${_u_distance}
variable ymin_converted equal -40.47464405862987*1
variable ymax_converted equal 40.47464405862987*${_u_distance}
variable ymax_converted equal 40.47464405862987*1
variable zmin_converted equal 0.0*${_u_distance}
variable zmin_converted equal 0.0*1
variable zmax_converted equal 4.047059699892998*${_u_distance}
variable zmax_converted equal 4.047059699892998*1
lattice            fcc ${lattice_constant_converted}
lattice            fcc 4.047059699893
Lattice spacing in x,y,z = 4.04706 4.04706 4.04706
region             whole block ${xmin_converted} ${xmax_converted} ${ymin_converted} ${ymax_converted} ${zmin_converted} ${zmax_converted} units box
region             whole block 0 ${xmax_converted} ${ymin_converted} ${ymax_converted} ${zmin_converted} ${zmax_converted} units box
region             whole block 0 4.047059699893 ${ymin_converted} ${ymax_converted} ${zmin_converted} ${zmax_converted} units box
region             whole block 0 4.047059699893 -40.4746440586299 ${ymax_converted} ${zmin_converted} ${zmax_converted} units box
region             whole block 0 4.047059699893 -40.4746440586299 40.4746440586299 ${zmin_converted} ${zmax_converted} units box
region             whole block 0 4.047059699893 -40.4746440586299 40.4746440586299 0 ${zmax_converted} units box
region             whole block 0 4.047059699893 -40.4746440586299 40.4746440586299 0 4.047059699893 units box
create_box         2 whole
Created orthogonal box = (0 -40.4746 0) to (4.04706 40.4746 4.04706)
  1 by 1 by 1 MPI processor grid
region             upper block INF INF 0.0 ${ymax_converted} INF INF units box
region             upper block INF INF 0.0 40.4746440586299 INF INF units box
lattice            fcc ${lattice_constant_converted} orient x 1 0 0 orient y 0 1 0 orient z 0 0 1
lattice            fcc 4.047059699893 orient x 1 0 0 orient y 0 1 0 orient z 0 0 1
Lattice spacing in x,y,z = 4.04706 4.04706 4.04706
create_atoms       1 region upper
Created 42 atoms
  create_atoms CPU = 0.000154018 secs
group              upper type 1
42 atoms in group upper
mass               1 26.981538*${_u_mass}
mass               1 26.981538*1
displace_atoms     upper move 0.0 0 0.0 units lattice
region             lower block INF INF ${ymin_converted}  0.0 INF INF units box
region             lower block INF INF -40.4746440586299  0.0 INF INF units box
lattice            fcc ${lattice_constant_converted} orient x 1 0 0 orient y 0 1 0 orient z 0 0 1
lattice            fcc 4.047059699893 orient x 1 0 0 orient y 0 1 0 orient z 0 0 1
Lattice spacing in x,y,z = 4.04706 4.04706 4.04706
create_atoms       2 region lower
Created 42 atoms
  create_atoms CPU = 2.09808e-05 secs
group              lower type 2
42 atoms in gro