../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner 
H
A_tP1_123_a
a c/a
standard
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Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000