Pm diamond LJ_ElliottAkerson_2015_Universal__MO_959249795837_003 8.85051442683
Optimization terminated successfully.
         Current function value: -80.569317
         Iterations: 74
         Function evaluations: 191
* Error (Neighbor List) : "Cell size too large. Check if you have partilces fly away." : 103:kimpy/neighlist/neighbor_list.cpp