# 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 2.8553236722946167*${_u_distance}
variable latticeconst_converted equal 2.8553236722946167*1
lattice       bcc  ${latticeconst_converted}
lattice       bcc  2.85532367229462
Lattice spacing in x,y,z = 2.8553237 2.8553237 2.8553237
region        simbox  block 0 10 0 10 0 10 units lattice
create_box    1 simbox
Created orthogonal box = (0 0 0) to (28.553237 28.553237 28.553237)
  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 (28.553237 28.553237 28.553237)
  create_atoms CPU = 0.000 seconds

variable mass_converted equal 55.845*${_u_mass}
variable mass_converted equal 55.845*1

kim interactions Fe
#=== 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-XXXXXX1iUSC4/FeCr.cdeam Fe
Reading eam/alloy potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXX1iUSC4/FeCr.cdeam with DATE: 2009-11-05
Reading potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXX1iUSC4/FeCr.cdeam with DATE: 2009-11-05
ERROR: The second element from the EAM file must be mapped to exactly one atom type. (src/MANYBODY/pair_eam_cd.cpp:478)
Last command: pair_coeff * * /tmp/kim-shared-library-parameter-file-directory-XXXXXX1iUSC4/FeCr.cdeam Fe