DL_POLY BENCHMARK 8: MAGNESIUM OXIDE MICROCRYSTAL                               
UNITS ev
MOLECULES 1
MgO crystallite
NUMMOLS 2708
ATOMS 2
Mg+          24.0000       2.000
O2-          16.0000      -2.000
FINISH
VDW 3
Mg+     Mg+     lj            0.0         0.0
Mg+     O2-     buck        821.6      0.3242         0.0
O2-     O2-     buck      22764.4      0.1490       20.37
CLOSE
