Mn diamond EAM_IMD_SchopfBrommerFrigan_2012_AlMnPd__MO_878712978062_003 4.44681943953 Optimization terminated successfully. Current function value: -56.731167 Iterations: 73 Function evaluations: 196 * Error (Neighbor List) : "Cell size too large. Check if you have partilces fly away." : 103:kimpy/neighlist/neighbor_list.cpp