../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner 
Al Ca O
A6B4C13_cI46_217_d_c_ag
a x2 x4 z4
standard
2
8.6156 0.15876076 0.14273752 0.59941966
8.8714 0.84607434 0.63943407 0.090271108
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000