Ba diamond LJ_ElliottAkerson_2015_Universal__MO_959249795837_003 9.56209404767
Optimization terminated successfully.
         Current function value: -47.227941
         Iterations: 71
         Function evaluations: 184
* Error (Neighbor List) : "Cell size too large. Check if you have partilces fly away." : 103:kimpy/neighlist/neighbor_list.cpp