C diamond LJ_ElliottAkerson_2015_Universal__MO_959249795837_003 3.38010282815
Optimization terminated successfully.
         Current function value: -158.326037
         Iterations: 68
         Function evaluations: 179
* Error (Neighbor List) : "Cell size too large. Check if you have partilces fly away." : 103:kimpy/neighlist/neighbor_list.cpp