Lennard-Jones, 2.5*sigma cut-off, sigma = 1 angstrom , epsilon=1eV
CUTOFF 2.5
UNITS eV
NCONFIGS 1
ATOMS 1
LJ core 1.0  0.0
MOLTYPES 1
lj
ATOMS 1 1
LJ core 0.0 0.0 0.0 
FINISH
VDW 1
LJ core  LJ core lj   1.0 1.0 
CLOSE

