Mn diamond LJ_ElliottAkerson_2015_Universal__MO_959249795837_003 6.18201619387
Optimization terminated successfully.
         Current function value: -14.911293
         Iterations: 69
         Function evaluations: 178
* Error (Neighbor List) : "Cell size too large. Check if you have partilces fly away." : 103:kimpy/neighlist/neighbor_list.cpp