towhee_ff Version
          14
Number of Nonbonded Types
          24
Potential Type
Lennard-Jones                 
Classical Mixrule
Lorentz-Berthelot             
Atom Type Number
           1
Nonbond Coefficients
    0.0000000000E+00
    0.0000000000E+00
    0.0000000000E+00
    0.0000000000E+00
Mass
    0.1007900000E+01
Element
 H
Bond Pattern
s    
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
ClayFF    
Atom Names
h*        
h*        
h*        
generic   
Atom Type Number
           2
Nonbond Coefficients
    0.0000000000E+00
    0.0000000000E+00
    0.0000000000E+00
    0.0000000000E+00
Mass
    0.1007900000E+01
Element
 H
Bond Pattern
s    
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
ClayFF    
Atom Names
ho        
ho        
ho        
generic   
Atom Type Number
           3
Nonbond Coefficients
    0.3165541314E+01
    0.7819985964E+02
    0.3165541314E+01
    0.7819985964E+02
Mass
    0.1599900000E+02
Element
 O
Bond Pattern
sp3  
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
ClayFF    
Atom Names
o*        
o*        
o*        
generic   
Atom Type Number
           4
Nonbond Coefficients
    0.3165541314E+01
    0.7819985964E+02
    0.3165541314E+01
    0.7819985964E+02
Mass
    0.1599900000E+02
Element
 O
Bond Pattern
sp3  
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
ClayFF    
Atom Names
oh        
oh        
oh        
generic   
Atom Type Number
           5
Nonbond Coefficients
    0.3165541314E+01
    0.7819985964E+02
    0.3165541314E+01
    0.7819985964E+02
Mass
    0.1599900000E+02
Element
 O
Bond Pattern
sp3  
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
ClayFF    
Atom Names
ob        
ob        
ob        
generic   
Atom Type Number
           6
Nonbond Coefficients
    0.3165541314E+01
    0.7819985964E+02
    0.3165541314E+01
    0.7819985964E+02
Mass
    0.1599900000E+02
Element
 O
Bond Pattern
sp3  
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
ClayFF    
Atom Names
obos      
obos      
obos      
generic   
Atom Type Number
           7
Nonbond Coefficients
    0.3165541314E+01
    0.7819985964E+02
    0.3165541314E+01
    0.7819985964E+02
Mass
    0.1599900000E+02
Element
 O
Bond Pattern
sp3  
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
ClayFF    
Atom Names
obts      
obts      
obts      
generic   
Atom Type Number
           8
Nonbond Coefficients
    0.3165541314E+01
    0.7819985964E+02
    0.3165541314E+01
    0.7819985964E+02
Mass
    0.1599900000E+02
Element
 O
Bond Pattern
sp3  
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
ClayFF    
Atom Names
obss      
obss      
obss      
generic   
Atom Type Number
           9
Nonbond Coefficients
    0.3165541314E+01
    0.7819985964E+02
    0.3165541314E+01
    0.7819985964E+02
Mass
    0.1599900000E+02
Element
 O
Bond Pattern
sp3  
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
ClayFF    
Atom Names
ohs       
ohs       
ohs       
generic   
Atom Type Number
          10
Nonbond Coefficients
    0.3302026998E+01
    0.9261701523E-03
    0.3302026998E+01
    0.9261701523E-03
Mass
    0.2808600000E+02
Element
Si
Bond Pattern
ion  
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
ClayFF    
Atom Names
st        
st        
st        
generic   
Atom Type Number
          11
Nonbond Coefficients
    0.4271235710E+01
    0.6691774347E-03
    0.4271235710E+01
    0.6691774347E-03
Mass
    0.2698200000E+02
Element
Al
Bond Pattern
p3   
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
ClayFF    
Atom Names
ao        
metal     
metal     
generic   
Atom Type Number
          12
Nonbond Coefficients
    0.3302026998E+01
    0.9261701523E-03
    0.3302026998E+01
    0.9261701523E-03
Mass
    0.2698200000E+02
Element
Al
Bond Pattern
sp3  
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
ClayFF    
Atom Names
at        
metal     
metal     
generic   
Atom Type Number
          13
Nonbond Coefficients
    0.5264320507E+01
    0.4543945255E-03
    0.5264320507E+01
    0.4543945255E-03
Mass
    0.2430500000E+02
Element
Mg
Bond Pattern
p3   
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
ClayFF    
Atom Names
mgo       
metal     
metal     
generic   
Atom Type Number
          14
Nonbond Coefficients
    0.5264320507E+01
    0.4543945255E-03
    0.5264320507E+01
    0.4543945255E-03
Mass
    0.2430500000E+02
Element
Mg
Bond Pattern
s?   
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
ClayFF    
Atom Names
mgh       
metal     
metal     
generic   
Atom Type Number
          15
Nonbond Coefficients
    0.5566691531E+01
    0.2531078855E-02
    0.5566691531E+01
    0.2531078855E-02
Mass
    0.4008000000E+02
Element
Ca
Bond Pattern
p3   
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
ClayFF    
Atom Names
cao       
metal     
metal     
generic   
Atom Type Number
          16
Nonbond Coefficients
    0.5566691531E+01
    0.2531078855E-02
    0.5566691531E+01
    0.2531078855E-02
Mass
    0.4008000000E+02
Element
Ca
Bond Pattern
s?   
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
ClayFF    
Atom Names
cah       
metal     
metal     
generic   
Atom Type Number
          17
Nonbond Coefficients
    0.4906179224E+01
    0.4543945255E-02
    0.4906179224E+01
    0.4543945255E-02
Mass
    0.5584700000E+02
Element
Fe
Bond Pattern
p3   
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
ClayFF    
Atom Names
feo       
metal     
metal     
generic   
Atom Type Number
          18
Nonbond Coefficients
    0.4210120058E+01
    0.4543945255E-02
    0.4210120058E+01
    0.4543945255E-02
Mass
    0.6941000000E+01
Element
Li
Bond Pattern
p3   
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
ClayFF    
Atom Names
lio       
metal     
metal     
generic   
Atom Type Number
          19
Nonbond Coefficients
    0.2350012631E+01
    0.6546847966E+02
    0.2350012631E+01
    0.6546847966E+02
Mass
    0.2299000000E+02
Element
Na
Bond Pattern
ion  
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
ClayFF    
Atom Names
Na        
null      
null      
null      
Atom Type Number
          20
Nonbond Coefficients
    0.3334010261E+01
    0.5032166000E+02
    0.3334010261E+01
    0.5032166000E+02
Mass
    0.3909800000E+02
Element
 K
Bond Pattern
ion  
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
ClayFF    
Atom Names
K         
null      
null      
null      
Atom Type Number
          21
Nonbond Coefficients
    0.3831042655E+01
    0.5032166000E+02
    0.3831042655E+01
    0.5032166000E+02
Mass
    0.1329000000E+03
Element
Cs
Bond Pattern
ion  
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
ClayFF    
Atom Names
Cs        
null      
null      
null      
Atom Type Number
          22
Nonbond Coefficients
    0.2871990188E+01
    0.5032166000E+02
    0.2871990188E+01
    0.5032166000E+02
Mass
    0.4008000000E+02
Element
Ca
Bond Pattern
ion  
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
ClayFF    
Atom Names
Ca        
null      
null      
null      
Atom Type Number
          23
Nonbond Coefficients
    0.3816610095E+01
    0.2365118020E+02
    0.3816610095E+01
    0.2365118020E+02
Mass
    0.1373300000E+03
Element
Ba
Bond Pattern
ion  
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
ClayFF    
Atom Names
Ba        
null      
null      
null      
Atom Type Number
          24
Nonbond Coefficients
    0.4399970574E+01
    0.5037198166E+02
    0.4399970574E+01
    0.5037198166E+02
Mass
    0.3545300000E+02
Element
Cl
Bond Pattern
ion  
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
ClayFF    
Atom Names
Cl        
null      
null      
null      
Number of Bonded Terms
           2
Bond Type Number
           1
Bond Style
           2
Bond Coefficients
    0.1000000000E+01
    0.2788498803E+06
Vibration Order
wild      
Force Field Name
ClayFF    
Number of Atoms with Same Parameters  
           3
Atom Names
o*         h*        
oh         ho        
ohs        ho        
Bond Type Number
           2
Bond Style
           7
Bond Coefficients
Vibration Order
wild      
Force Field Name
ClayFF    
Number of Atoms with Same Parameters  
           4
Atom Names
metal      oh        
metal      ob        
metal      obts      
metal      obss      
Number of Angle Terms
           2
Angle Type Number
           1
Angle Style
           1
Angle Coefficients
    0.1094700000E+03
    0.2303202250E+05
Angle Order
wild           
Force Field Name
ClayFF    
Number of Atoms with Same Parameters  
           1
Atom Names
h*         o*         h*        
Angle Type Number
           2
Angle Style
           1
Angle Coefficients
    0.1094700000E+03
    0.1509649800E+05
Angle Order
wild           
Force Field Name
ClayFF    
Number of Atoms with Same Parameters  
           2
Atom Names
metal      oh         ho        
metal      ohs        ho        
Number of Torsion Terms
           0
Number of Improper Terms
           0
Number of Angle-Angle Terms
           0
Number of One-Five Types
           0
Number of Bond Increments
           0
