N diamond Tersoff_LAMMPS_NordAlbeErhart_2003_GaN__MO_612061685362_002 4.04466774315 Optimization terminated successfully. Current function value: -16.186800 Iterations: 72 Function evaluations: 188 * Error (Neighbor List) : "Cell size too large. Check if you have partilces fly away." : 103:kimpy/neighlist/neighbor_list.cpp