O diamond LJ_ElliottAkerson_2015_Universal__MO_959249795837_003 2.935353145
Optimization terminated successfully.
         Current function value: -127.427590
         Iterations: 72
         Function evaluations: 186
* Error (Neighbor List) : "Cell size too large. Check if you have partilces fly away." : 103:kimpy/neighlist/neighbor_list.cpp