Pb diamond Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Pb__MO_958424213898_002 7.77833864838 Optimization terminated successfully. Current function value: -6.317402 Iterations: 70 Function evaluations: 179 * Error (Neighbor List) : "Cell size too large. Check if you have partilces fly away." : 103:kimpy/neighlist/neighbor_list.cpp