../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner 
H Na O
ABC_oC12_63_c_c_c
a b/a c/a y1 y2 y3
standard
1
3.4234 3.3659812 0.99658235 0.051294856 0.33725896 0.13574885
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000