# 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 3.291649274528027*${_u_distance}
variable latticeconst_converted equal 3.291649274528027*1
lattice       bcc  ${latticeconst_converted}
lattice       bcc  3.29164927452803
Lattice spacing in x,y,z = 3.2916493 3.2916493 3.2916493
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 (32.916493 32.916493 32.916493)
  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 (32.916493 32.916493 32.916493)
  create_atoms CPU = 0.001 seconds

variable mass_converted equal 180.9479*${_u_mass}
variable mass_converted equal 180.9479*1

kim_interactions Ta

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

kim interactions Ta
#=== BEGIN kim interactions ==================================
variable kim_update equal 0
variable kim_periodic equal 1
pair_style hybrid table linear 1000 eam/alloy
pair_coeff 1 1 table /tmp/kim-shared-library-parameter-file-directory-XXXXXXLEoKwo/He.Aziz.table HeHe_Aziz
WARNING: 482 of 1000 force values in table HeHe_Aziz are inconsistent with -dE/dr.
WARNING:  Should only be flagged at inflection points (src/pair_table.cpp:462)
pair_coeff 1 2 table /tmp/kim-shared-library-parameter-file-directory-XXXXXXLEoKwo/TaHe.Juslin.table TaHe_Juslin
ERROR: Numeric index 2 is out of bounds (1-1) (src/pair_hybrid.cpp:473)
Last command: pair_coeff 1 2 table /tmp/kim-shared-library-parameter-file-directory-XXXXXXLEoKwo/TaHe.Juslin.table TaHe_Juslin