All the calculated Si-K ELNES/XANES and ground-state PDOS were broadened by a Gaussian function with a standard deviation of 0.5 eV. The Si-K ELNES/XANES spectra were compiled into the database as 200-dimensional vectors with a resolution of 0.1 eV spanning from -1 eV to 19 eV relative to the Fermi level, while the ground-state PDOS spectra were stored in the database as 300-dimensional vectors with a resolution of 0.1 eV spanning from -15 eV to 15 eV.