Enter the extended ID of a KIM Model: Enter a chemical element: Enter an FCC lattice constant (meters): Enter a hydrostatic pressure consistent with the lattice constant above (bars): LAMMPS (30 Jul 2021) OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98) using 1 OpenMP thread(s) per MPI task # Using KIM Simulator Model : Sim_LAMMPS_Table_GrogerVitekDlouhy_2020_CoCrFeMnNi__SM_786004631953_000 # For Simulator : LAMMPS 30 Jul 2021 # Running on : LAMMPS 30 Jul 2021 # Lattice spacing in x,y,z = 3.5018605 3.5018605 3.5018605 Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (4.2888857 2.4761893 117.26440) 1 by 1 by 1 MPI processor grid Lattice spacing in x,y,z = 5.7185142 4.9523786 6.0654003 Created 116 atoms using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (4.2888857 2.4761893 117.26440) create_atoms CPU = 0.008 seconds 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) 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-XXXXXXHIRm0V/mie_Cr-Cr.table ENTRY Info: Pressure specified as zero in input. Forgoing lattice constant calculation and proceeding with lattice constant specified. *********************************************************** COMPUTING GAMMA SURFACE ***********************************************************