#
#  WRIGHT -library of potentials for GULP
#
#  from K. Wright and R. A. Jackson
#  J. Mater. Chem. 5 (11) 2037-2040 (1995).
#
#  3 sets were refined; each with a different number of parameters
#  I've guessed the three body cutoffs and the shell charges (smw)
#
species
Zn1 core  2.000
S1  core  0.000
S1  shel -2.000
buck
Zn1 core S1 shel  613.356 0.3990   0.0 0.0 12.0
S1  shel S1 shel 1200.000 0.1490 120.0 0.0 12.0
spring
S1  12.7
#
species
Zn2 core  0.000
Zn2 shel  2.000
S2  core  0.000
S2  shel -2.000
buck
Zn2 shel S2 shel  539.450 0.4099   0.0 0.0 12.0
S2  shel S2 shel 1200.000 0.1490 120.0 0.0 12.0
spring
Zn2  3.52
S2  18.08
#
species
Zn3 core  0.000
Zn3 shel  2.000
S3  core  0.000
S3  shel -2.000
buck
Zn3 shel S3 shel  528.899 0.4111  0.00 0.0 10.0
S3  shel S3 shel 1200.000 0.1490 120.0 0.0 12.0
three
Zn3 shel S3 shel S3 shel 0.713 109.47 2.0 2.0 2.4
spring
Zn3  2.181
S3  16.86