# 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_time equal 1.0
variable _u_pressure equal 1.0
variable _u_temperature equal 1.0

# This line may be swapped out by kim-lammps-preprocessor if running against a Simulator
# Model whose atom_style is not 'atomic'
atom_style atomic

# periodic boundary conditions along all three dimensions
boundary p p p

# Set neighbor skin
variable neigh_skin equal 2.0*${_u_distance}
variable neigh_skin equal 2.0*1
neighbor ${neigh_skin} bin
neighbor 2 bin

# create a supercell with cubic lattice (fcc, bcc, sc, or diamond)
# using 10*10*10 conventional (orthogonal) unit cells
variable latticeconst_converted equal 2.878051549196243*${_u_distance}
variable latticeconst_converted equal 2.878051549196243*1
lattice       bcc  ${latticeconst_converted}
lattice       bcc  2.87805154919624
Lattice spacing in x,y,z = 2.87805 2.87805 2.87805
region        simbox  block 0 10 0 10 0 10 units lattice
create_box    1 simbox
Created orthogonal box = (0 0 0) to (28.7805 28.7805 28.7805)
  1 by 1 by 1 MPI processor grid
create_atoms  1 box
Created 2000 atoms
  create_atoms CPU = 0.000272989 secs

variable mass_converted equal 51.9961*${_u_mass}
variable mass_converted equal 51.9961*1

# specify which KIM Model to use
pair_style eam/cd
pair_coeff * * ./SM_775564499513_000-files/b'FeCr.cdeam' Cr
Reading potential file ./SM_775564499513_000-files/b'FeCr.cdeam' with DATE: 2009-11-05
Reading potential file ./SM_775564499513_000-files/b'FeCr.cdeam' with DATE: 2009-11-05
ERROR: The first element from the EAM file must be mapped to exactly one atom type. (src/MANYBODY/pair_eam_cd.cpp:485)
Last command: pair_coeff * * ./SM_775564499513_000-files/b'FeCr.cdeam' Cr