#
# S. Hamad, S. Cristol, C. R. A. Catlow
# J. Phys. Chem. B 2002 106 11002
#
species
Zn core   2.0000
S  core   1.3570
S  shel  -3.3570
buck
S     shel Zn    core  213.20380     0.475264 10.540      0.000 15.000
buck
S     shel S     shel  11413.091     0.152977 129.18      0.000 15.000
lennard  9  6
S     shel Zn    core  664.35462      0.0000000      0.000 15.000
three
Zn    core S     shel S     shel   0.77781   109.47000  2.600  2.600  4.400
spring
S 27.690