* Error (Neighbor List) : "Cell size too large. Check if you have partilces fly away." : 103:kimpy/neighlist/neighbor_list.cpp Np diamond LJ_ElliottAkerson_2015_Universal__MO_959249795837_003 8.450244636088607 Optimization terminated successfully. Current function value: -72.512414 Iterations: 92 Function evaluations: 250