#!/usr/bin/python3.8 

#########################################
#      information of DP potential      #
#########################################

# information of material
'''
    units:
        temperature      : Kelvin
        lengh            : Angstrom
        mass             : g/cm^3
        elastic constant : GPa
        * msd            :
'''
latt_const     =    {'a':, 'c': }
mass           =    47.867
c11            =    
c22            =    
c33            =    
c12            =    
c13            =    
c23            =    
c44            =    
c55            =    
c66            =    
c14            =    
c15            =    
c16            =    
c24            =    
c25            =    
c26            =    
c34            =    
c35            =    
c36            =    
c45            =    
c46            =    
c56            =    

# initialize elastic constant
elastic_const  = [c11, c12, c13, c14, c15, c16,
                       c22, c23, c24, c25, c26,
                            c33, c34, c35, c36,
                                 c44, c45, c46,
                                      c55, c56,
                                           c66]
                                           
###########################################
#            additional info              #
###########################################
msd            = None


97c498407d989cd7e05cfc795f2012946ea5171e
#!/usr/bin/python3.8 

#########################################
#      information of DP potential      #
#########################################

# information of material
'''
    units:
        temperature      : Kelvin
        lengh            : Angstrom
        mass             : g/cm^3
        elastic constant : GPa
        * msd            :
'''
latt_const     =    {'a':, 'c': }
mass           =    47.867
c11            =    
c22            =    
c33            =    
c12            =    
c13            =    
c23            =    
c44            =    
c55            =    
c66            =    
c14            =    
c15            =    
c16            =    
c24            =    
c25            =    
c26            =    
c34            =    
c35            =    
c36            =    
c45            =    
c46            =    
c56            =    

# initialize elastic constant
elastic_const  = [c11, c12, c13, c14, c15, c16,
                       c22, c23, c24, c25, c26,
                            c33, c34, c35, c36,
                                 c44, c45, c46,
                                      c55, c56,
                                           c66]
                                           
###########################################
#            additional info              #
###########################################
msd            = None

