During the training and prediction of the dipoles and their derivatives process, the Coulomb matrix is used as the molecular descriptor, which is invariant to the translational and rotational motion of molecules. However, the dipoles of the molecular system are vectors and will change if we rotate the molecule. Therefore, we define a relative Cartesian coordinate system in this work, which is dependent on the relative positions between the atoms of the molecule. The dipoles used in the training and prediction process are based on the relative Cartesian coordinate system, which will also be invariant to the translational and rotational motion of molecules. The details of this implementation can be found in the Supporting Information.