pair_coeff * * 0.0 1.0 0.0 0.0 0.0
# note below the Ca shell has a large positive charge and
# the core has a negative charge to provide the correct total charge. 
# This, although physically unreasonable, is the correct parameter \
# fitted by the authors to studied properties. 
# There is also no non-Coulombic Ca-Ca interaction.
if """ $(is_typelabel(atom,CaC)) """ then &
""" mass CaC 36.072 """ &
""" set type CaC charge -3.24 """
if """ $(is_typelabel(atom,FC)) """ then &
""" mass FC 17.098562844 """ &
""" set type FC charge 1.38 """
if """ $(is_typelabel(atom,CaS)) """ then &
""" mass CaS 4.008 """ &
""" set type CaS charge 5.24 """ 
if """ $(is_typelabel(atom,FS)) """ then &
""" mass FS 1.899840316 """ &
""" set type FS charge -2.38 """ &
""" pair_coeff FS FS 1801.01 0.2930 0.0 109.1 0.0 """
if """ $(is_typelabel(atom,CaS)) && $(is_typelabel(atom,FS)) """ then &
""" pair_coeff CaS FS 1329.61 0.2979 0.0 0.0 0.0 """
if """ $(is_typelabel(bond,CaC-CaS)) """ then &
""" bond_coeff CaC-CaS 309.9 0.0 """
if """ $(is_typelabel(bond,CaS-CaC)) """ then &
""" bond_coeff CaS-CaC 309.9 0.0 """
if """ $(is_typelabel(bond,FC-FS)) """ then &
""" bond_coeff FC-FS 101.2 0.0 """
if """ $(is_typelabel(bond,FS-FC)) """ then &
""" bond_coeff FS-FC 101.2 0.0 """