Fig. 4: RDFs (left) and corresponding vibrational power spectra (right) predicted by DFT (thick solid lines) and the Hierarchically learned ChIMES model (thin dashed lines).

In the RDF figures, C–C, N–N, and C–N are given in green, blue, and magenta, respectively. In the power spectra, data for C and N are given in green and blue, respectively.