DL_POLY TEST CASE 1
CUTOFF 8.0
UNITS ev
NCONFIGS 1
ATOMS 3
Mn core 1.0 2.0
Mg core 1.0 2.0
O core 1.0 -2.0
MOLTYPES 1
MgO
MAXATOM 512
FINISH
VDW 3 
O core O core buck 22764.3 0.149 20.37
Mg core O core buck 700.3 0.3372 0.0
Mn core O core buck 1007.4 0.3262 0.0
CLOSE