* Error (Neighbor List) : "Cell size too large. Check if you have partilces fly away." : 103:kimpy/neighlist/neighbor_list.cpp
B diamond LJ_ElliottAkerson_2015_Universal__MO_959249795837_003 3.780372604727745
Optimization terminated successfully.
         Current function value: -73.750847
         Iterations: 73
         Function evaluations: 190