Fig. 4: Energetics of disordered Si structures.
From: Signatures of paracrystallinity in amorphous silicon from machine-learning-driven molecular dynamics
Scatter plot of the ML-predicted atomic energy relative to cubic-diamond-type Si (dia) averaged over nearest neighbors against the atomistic SOAP similarity to dia, colored by adaptive Common Neighbor Analysis. A star indicates the ideal dia environment. Histograms of the total distribution and kernel density estimates are shown for each axis. Vertical lines indicate the experimentally measured heat of crystallization, with gray shading corresponding to the standard deviation11. Source data are provided in the Source Data file.
