../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner 
Al Ca Si
A2B3C2_oI14_71_e_af_f
a b/a c/a x2 x3 x4
standard
1
18.547 0.24485362 0.22036448 0.43149503 0.6861057 0.85565745
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000