../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner 
Ca
A_cI2_229_a
a
standard
1
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Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000