# 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 = 2.8780515 2.8780515 2.8780515
region        simbox  block 0 10 0 10 0 10 units lattice
create_box    1 simbox
Created orthogonal box = (0 0 0) to (28.780515 28.780515 28.780515)
  1 by 1 by 1 MPI processor grid
create_atoms  1 box
Created 2000 atoms
  using lattice units in orthogonal box = (0 0 0) to (28.780515 28.780515 28.780515)
  create_atoms CPU = 0.000 seconds

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

kim interactions Cr
#=== BEGIN kim interactions ==================================
variable kim_update equal 0
variable kim_periodic equal 1
pair_style eam/cd
pair_coeff * * /tmp/kim-shared-library-parameter-file-directory-XXXXXXLCg9Kr/FeCr.cdeam Cr
Reading eam/alloy potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXLCg9Kr/FeCr.cdeam with DATE: 2009-11-05
Reading potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXLCg9Kr/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:476)
Last command: pair_coeff * * /tmp/kim-shared-library-parameter-file-directory-XXXXXXLCg9Kr/FeCr.cdeam Cr