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Isothermal EOSs, both calculated and from experiment, for FOX-7 (Ref. 21), -HMX (Refs. 14 and 22), NM (Refs. 23 and 24), PETN-I (Ref. 25), -RDX (Ref. 25), and TATB (Refs. 26 and 27) under hydrostatic compression. The EOSs are displayed for pure DFT, , and calculations. Temperatures used in calculations correspond to those of experiments.
Equilibrium unit-cell volumes , as calculated using pure DFT, , and , are compared to experimental values determined at the temperatures shown. The error is given under each calculated value.
, , and for each EM at specified temperatures of experiments obtained by fits to the Birch–Murnaghan EOS. The percent difference between theory and experiment is given under calculated values of and .
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