Pb diamond Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Pb__MO_370271093517_002 7.77423650026 Optimization terminated successfully. Current function value: -6.395456 Iterations: 73 Function evaluations: 188 * Error (Neighbor List) : "Cell size too large. Check if you have partilces fly away." : 103:kimpy/neighlist/neighbor_list.cpp