# 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 2.848074048757553*${_u_distance}
variable latticeconst_converted equal 2.848074048757553*1
lattice       bcc  ${latticeconst_converted}
lattice       bcc  2.84807404875755
Lattice spacing in x,y,z = 2.8480740 2.8480740 2.8480740
region        simbox  block 0 10 0 10 0 10 units lattice
create_box    1 simbox
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (28.480740 28.480740 28.480740)
  1 by 1 by 1 MPI processor grid
create_atoms  1 box
Created 2000 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (28.480740 28.480740 28.480740)
  create_atoms CPU = 0.002 seconds

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

kim_interactions Fe

WARNING: 'kim_<command>' has been renamed to 'kim <command>'. Please update your input.

kim interactions Fe
#=== BEGIN kim interactions ==================================
variable kim_update equal 0
variable kim_periodic equal 1
pair_style table spline 10000
pair_coeff 1 1 /tmp/kim-shared-library-parameter-file-directory-XXXXXXaYum8y/mie_Co-Co.table ENTRY
WARNING: 1 of 10000 force values in table ENTRY are inconsistent with -dE/dr.
WARNING:  Should only be flagged at inflection points (src/pair_table.cpp:462)
pair_coeff 2 2 /tmp/kim-shared-library-parameter-file-directory-XXXXXXaYum8y/mie_Cr-Cr.table ENTRY
ERROR: Numeric index 2 is out of bounds (1-1) (src/pair_table.cpp:263)
Last command: pair_coeff 2 2 /tmp/kim-shared-library-parameter-file-directory-XXXXXXaYum8y/mie_Cr-Cr.table ENTRY