Molecular dynamics (MD) simulations are run with the LAMMPS code. All interatomic forces were calculated using the ReaxFF parametrization from Wood et. al. TATB was modeled in the ambient crystal structure 64 at the relaxed density of the potential. The unit cell was replicated 500 total times (1000 molecules, 24,000 atoms) in a roughly cubic shape. Charge equilibration was conducted with qEQ with a threshold of 1x10 -6 . Intramolecular strain was controlled using the Many Body Steered MD method (MBsMD) in which a single mode was deformed. The N O 2 out of plane bend was controlled for all three nitro groups in every molecule using a harmonic function with a spring constant of 200 kcal/mol. MD TATB reaction kinetics are measured as