MgO interactions using Lewis-Catlow potentials
CUTOFF 12.0
UNITS eV
NCONFIGS 1
ATOMS 3
Si core 24.0 4.0
O core 16.0 -2.0
Ar core 39.9 0.0
MOLTYPES 2
zeolite
MAXATOM 2304
argon
MAXATOM 200
FINISH
VDW 3  ecap 10000000000.0
Ar core Ar core lj 0.010315 3.405
Ar core Si core lj 0.0028437 2.04105
Ar core O core lj 0.0028437 2.04105
CLOSE