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_HybridOverlay_BelandLuOsetskiy_2016_CoNi__SM_445377835613_000 # For Simulator : LAMMPS 30 Jul 2021 # Running on : LAMMPS 30 Jul 2021 # Lattice spacing in x,y,z = 3.5200136 3.5200136 3.5200136 Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (4.3111186 2.4890255 117.87229) 1 by 1 by 1 MPI processor grid Lattice spacing in x,y,z = 5.7481581 4.9780510 6.0968424 Created 116 atoms using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (4.3111186 2.4890255 117.87229) create_atoms CPU = 0.011 seconds ERROR: Numeric index 2 is out of bounds (1-1) (src/pair_hybrid_overlay.cpp:39) Last command: pair_coeff 1 2 zbl 28 27 Info: Pressure specified as zero in input. Forgoing lattice constant calculation and proceeding with lattice constant specified. *********************************************************** COMPUTING GAMMA SURFACE ***********************************************************