file_energy$Fephen3_Energy.txt$                          input file name of energy(eV)
file_x$Fephen3_bond_3ligand.txt$                               input file name of parameters
file_y$Fephen3_xmu.txt$                              input file name of X-ray absorption spectra
file_exp$exp_excited.txt$                                input file name of experiment spectrum
fmodel$tmp.pkl$                                                 input file name of machine learning model XXX.pkl
e1$7100$                                                        plot Energy range from e1 to e2,
e2$7200$                                                        plot Energy range,for instance Fe XANES from 7100eV to 7200eV 
norm$1$                                                        normalization factor,in this FDMNES example is 33. 
npar$3$                                                         structure parameter number
par_a$1.8,1.8,1.8$                                           structure parameter lower bound,   float array of size npar
par_b$2.2,2.2,2.2$                                              structure parameter upper bound,   float array of size npar
x0$2.0,2.0,2.0$                                                 structure parameter initial value, float array of size npar
par_name$Phen1_Shift,Phen2_Shift,Phen3_Shift$    structure parameter name, string array of size npar
