Fig. 7: Structural properties of available force fields.
From: Neural network reactive force field for C, H, N, and O systems
a Equation of state for RDX crystal with experimental volume (Exp vol indicated as a vertical dashed line, corresponding to ρ = 1.86 g cm−3) and b The X-ray diffraction peaks of RDX crystal from Experiment and available force fields (Gen1.9 NNRF, ReaxFFs). aExperimental RDX crystal structure from ref. 78.
