The f, a, and b parameters in eqs ( ) and ( ) are set to values of 0.6 Å -1 , -2.0 Å, and 7.0 Å respectively. The weights in cost function are set to 𝛼 & = 0.01, and 𝛼 ' = 0.0001. The input adiabatic database contains the same 6340 geometries and energies as described previously. We employed a neural network size with four hidden layers; these layers contain 30, 65, 95, and 125 neurons.