* Error (Neighbor List) : "Cell size too large. Check if you have partilces fly away." : 103:kimpy/neighlist/neighbor_list.cpp O diamond Tersoff_LAMMPS_ErhartJuslinGoy_2006_ZnO__MO_616776018688_002 4.463843204081059 Optimization terminated successfully. Current function value: -5.081496 Iterations: 72 Function evaluations: 190