towhee_ff Version
          14
Number of Nonbonded Types
           9
Potential Type
Lennard-Jones                 
Classical Mixrule
Explicit                      
Atom Type Number
           1
Nonbond Coefficients
    0.0000000000E+00
    0.0000000000E+00
    0.0000000000E+00
    0.0000000000E+00
Nonbond Coefficients
    0.3470000000E+01
    0.1150000000E+03
    0.0000000000E+00
    0.0000000000E+00
Nonbond Coefficients
    0.3480000000E+01
    0.9300000000E+02
    0.0000000000E+00
    0.0000000000E+00
Nonbond Coefficients
    0.3580000000E+01
    0.6050000000E+02
    0.0000000000E+00
    0.0000000000E+00
Nonbond Coefficients
    0.3920000000E+01
    0.4000000000E+02
    0.0000000000E+00
    0.0000000000E+00
Nonbond Coefficients
    0.4560000000E+01
    0.1000000000E+02
    0.0000000000E+00
    0.0000000000E+00
Nonbond Coefficients
    0.3400000000E+01
    0.2300000000E+02
    0.0000000000E+00
    0.0000000000E+00
Nonbond Coefficients
    0.0000000000E+00
    0.0000000000E+00
    0.0000000000E+00
    0.0000000000E+00
Nonbond Coefficients
    0.0000000000E+00
    0.0000000000E+00
    0.0000000000E+00
    0.0000000000E+00
Mass
    0.1599900000E+02
Element
 O
Bond Pattern
ion  
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Dubb2004  
Atom Names
O         
O         
O         
O         
Atom Type Number
           2
Nonbond Coefficients
    0.3720000000E+01
    0.1585000000E+03
    0.0000000000E+00
    0.0000000000E+00
Nonbond Coefficients
    0.3740000000E+01
    0.1308400000E+03
    0.0000000000E+00
    0.0000000000E+00
Nonbond Coefficients
    0.3840000000E+01
    0.9421000000E+02
    0.0000000000E+00
    0.0000000000E+00
Nonbond Coefficients
    0.4170000000E+01
    0.5191000000E+02
    0.0000000000E+00
    0.0000000000E+00
Nonbond Coefficients
    0.4870000000E+01
    0.1126000000E+02
    0.0000000000E+00
    0.0000000000E+00
Nonbond Coefficients
    0.2720000000E+01
    0.5821700000E+03
    0.0000000000E+00
    0.0000000000E+00
Nonbond Coefficients
    0.0000000000E+00
    0.0000000000E+00
    0.0000000000E+00
    0.0000000000E+00
Nonbond Coefficients
    0.0000000000E+00
    0.0000000000E+00
    0.0000000000E+00
    0.0000000000E+00
Mass
    0.1603260000E+02
Element
 C
Bond Pattern
ion  
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Dubb2004  
Atom Names
CH4       
CH4       
CH4       
CH4       
Atom Type Number
           3
Nonbond Coefficients
    0.3760000000E+01
    0.1080000000E+03
    0.0000000000E+00
    0.0000000000E+00
Nonbond Coefficients
    0.3860000000E+01
    0.7777000000E+02
    0.0000000000E+00
    0.0000000000E+00
Nonbond Coefficients
    0.4190000000E+01
    0.4285000000E+02
    0.0000000000E+00
    0.0000000000E+00
Nonbond Coefficients
    0.4900000000E+01
    0.9300000000E+01
    0.0000000000E+00
    0.0000000000E+00
Nonbond Coefficients
    0.2650000000E+01
    0.4437300000E+03
    0.0000000000E+00
    0.0000000000E+00
Nonbond Coefficients
    0.0000000000E+00
    0.0000000000E+00
    0.0000000000E+00
    0.0000000000E+00
Nonbond Coefficients
    0.0000000000E+00
    0.0000000000E+00
    0.0000000000E+00
    0.0000000000E+00
Mass
    0.1502470000E+02
Element
 C
Bond Pattern
sp3  
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Dubb2004  
Atom Names
CH3       
Csp3      
Csp3      
CH3       
Atom Type Number
           4
Nonbond Coefficients
    0.3960000000E+01
    0.5600000000E+02
    0.0000000000E+00
    0.0000000000E+00
Nonbond Coefficients
    0.4300000000E+01
    0.3085000000E+02
    0.0000000000E+00
    0.0000000000E+00
Nonbond Coefficients
    0.5030000000E+01
    0.6690000000E+01
    0.0000000000E+00
    0.0000000000E+00
Nonbond Coefficients
    0.2950000000E+01
    0.3100000000E+03
    0.0000000000E+00
    0.0000000000E+00
Nonbond Coefficients
    0.0000000000E+00
    0.0000000000E+00
    0.0000000000E+00
    0.0000000000E+00
Nonbond Coefficients
    0.0000000000E+00
    0.0000000000E+00
    0.0000000000E+00
    0.0000000000E+00
Mass
    0.1401680000E+02
Element
 C
Bond Pattern
sp3  
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Dubb2004  
Atom Names
CH2       
Csp3      
Csp3      
CH2       
Atom Type Number
           5
Nonbond Coefficients
    0.4670000000E+01
    0.1700000000E+02
    0.0000000000E+00
    0.0000000000E+00
Nonbond Coefficients
    0.5460000000E+01
    0.3690000000E+01
    0.0000000000E+00
    0.0000000000E+00
Nonbond Coefficients
    0.0000000000E+00
    0.0000000000E+00
    0.0000000000E+00
    0.0000000000E+00
Nonbond Coefficients
    0.0000000000E+00
    0.0000000000E+00
    0.0000000000E+00
    0.0000000000E+00
Nonbond Coefficients
    0.0000000000E+00
    0.0000000000E+00
    0.0000000000E+00
    0.0000000000E+00
Mass
    0.1300890000E+02
Element
 C
Bond Pattern
sp3  
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Dubb2004  
Atom Names
CH        
Csp3      
Csp3      
CH        
Atom Type Number
           6
Nonbond Coefficients
    0.6380000000E+01
    0.8000000000E+00
    0.0000000000E+00
    0.0000000000E+00
Nonbond Coefficients
    0.0000000000E+00
    0.0000000000E+00
    0.0000000000E+00
    0.0000000000E+00
Nonbond Coefficients
    0.0000000000E+00
    0.0000000000E+00
    0.0000000000E+00
    0.0000000000E+00
Nonbond Coefficients
    0.0000000000E+00
    0.0000000000E+00
    0.0000000000E+00
    0.0000000000E+00
Mass
    0.1200100000E+02
Element
 C
Bond Pattern
sp3  
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Dubb2004  
Atom Names
C         
Csp3      
Csp3      
C         
Atom Type Number
           7
Nonbond Coefficients
    0.2160000000E+01
    0.1244000000E+03
    0.0000000000E+00
    0.0000000000E+00
Nonbond Coefficients
    0.0000000000E+00
    0.0000000000E+00
    0.0000000000E+00
    0.0000000000E+00
Nonbond Coefficients
    0.0000000000E+00
    0.0000000000E+00
    0.0000000000E+00
    0.0000000000E+00
Mass
    0.2299000000E+02
Element
Na
Bond Pattern
ion  
Base Charge 
    0.1000000000E+01
Polarizability
    0.1000000000E+01
Force Field Name
Dubb2004  
Atom Names
Na        
Na        
Na        
Na        
Atom Type Number
           8
Nonbond Coefficients
    0.0000000000E+00
    0.0000000000E+00
    0.0000000000E+00
    0.0000000000E+00
Nonbond Coefficients
    0.0000000000E+00
    0.0000000000E+00
    0.0000000000E+00
    0.0000000000E+00
Mass
    0.2698200000E+02
Element
Al
Bond Pattern
sp3  
Base Charge 
   -0.1000000000E+01
Polarizability
    0.1000000000E+01
Force Field Name
Dubb2004  
Atom Names
Al        
Al        
Al        
Al        
Atom Type Number
           9
Nonbond Coefficients
    0.0000000000E+00
    0.0000000000E+00
    0.0000000000E+00
    0.0000000000E+00
Mass
    0.2808600000E+02
Element
Si
Bond Pattern
sp3  
Base Charge 
    0.0000000000E+00
Polarizability
    0.1000000000E+01
Force Field Name
Dubb2004  
Atom Names
Si        
Si        
Si        
Si        
Number of Bonded Terms
           2
Bond Type Number
           1
Bond Style
           2
Bond Coefficients
    0.1540000000E+01
    0.4825000000E+05
Vibration Order
wild      
Force Field Name
Dubb2004  
Number of Atoms with Same Parameters  
           1
Atom Names
Csp3       Csp3      
Bond Type Number
           2
Bond Style
           8
Bond Coefficients
Vibration Order
wild      
Force Field Name
Dubb2004  
Number of Atoms with Same Parameters  
           2
Atom Names
Al         O         
Si         O         
Number of Angle Terms
           2
Angle Type Number
           1
Angle Style
           3
Angle Coefficients
    0.1140000000E+03
    0.3125000000E+05
Angle Order
wild           
Force Field Name
Dubb2004  
Number of Atoms with Same Parameters  
           1
Atom Names
Csp3       Csp3       Csp3      
Angle Type Number
           2
Angle Style
          11
Angle Coefficients
Angle Order
wild           
Force Field Name
Dubb2004  
Number of Atoms with Same Parameters  
           4
Atom Names
Si         O          Si        
Si         O          Al        
O          Si         O         
O          Al         O         
Number of Torsion Terms
           5
Torsion Type Number
           1
Torsion Style
          10
One-Four Nonbond Logical
 F
Number of Torsion Loops
           5
Torsion Coefficients
    0.1204654000E+04
    0.1947740000E+04
   -0.3578450000E+03
   -0.1944666000E+04
    0.7156900000E+03
   -0.1565572000E+04
Torsion Order
wild           
Force Field Name
Dubb2004  
Number of Atoms with Same Parameters  
           1
Atom Names
Cwild      CH2        CH2        Cwild     
Torsion Type Number
           2
Torsion Style
          10
One-Four Nonbond Logical
 F
Number of Torsion Loops
           3
Torsion Coefficients
    0.1293324000E+04
    0.3879849000E+04
    0.0000000000E+00
   -0.5173163000E+04
Torsion Order
wild           
Force Field Name
Dubb2004  
Number of Atoms with Same Parameters  
           1
Atom Names
Cwild      C          CH2        Cwild     
Torsion Type Number
           3
Torsion Style
          10
One-Four Nonbond Logical
 F
Number of Torsion Loops
           3
Torsion Coefficients
    0.2045657000E+04
    0.6136797000E+04
    0.0000000000E+00
   -0.8182447000E+04
Torsion Order
wild           
Force Field Name
Dubb2004  
Number of Atoms with Same Parameters  
           1
Atom Names
Cwild      C          C          Cwild     
Torsion Type Number
           4
Torsion Style
          11
One-Four Nonbond Logical
 T
One-Four Coulombic Scaling
    0.5000000000E+00
Torsion Coefficients
   -0.2510600000E+03
    0.4287300000E+03
   -0.1118500000E+03
    0.4412700000E+03
Torsion Order
wild           
Force Field Name
Dubb2004  
Number of Atoms with Same Parameters  
           2
Atom Names
Cwild      CH         CH2        Cwild     
Cwild      CH         CH         Cwild     
Torsion Type Number
           5
Torsion Style
           8
One-Four Nonbond Logical
 F
Torsion Coefficients
Torsion Order
wild           
Force Field Name
Dubb2004  
Number of Atoms with Same Parameters  
           2
Atom Names
wild       Al         O          wild      
wild       Si         O          wild      
Number of Improper Terms
           0
Number of Angle-Angle Terms
           0
Number of One-Five Types
           0
Number of Bond Increments
           3
Bond Increment Type Number
           1
Bond Increment Value
    0.5125000000E+00
Bond Increment Order
wild      
Force Field Name
Dubb2004  
Atom Names
Si         O         
Bond Increment Type Number
           2
Bond Increment Value
    0.6875000000E+00
Bond Increment Order
wild      
Force Field Name
Dubb2004  
Atom Names
Al         O         
Bond Increment Type Number
           3
Bond Increment Value
    0.0000000000E+00
Bond Increment Order
wild      
Force Field Name
Dubb2004  
Atom Names
Csp3       Csp3      
