* Error (Neighbor List) : "Cell size too large. Check if you have partilces fly away." : 103:kimpy/neighlist/neighbor_list.cpp
Ni diamond LJ_ElliottAkerson_2015_Universal__MO_959249795837_003 5.514891535043716
Optimization terminated successfully.
         Current function value: -51.595752
         Iterations: 86
         Function evaluations: 232