../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner 
Al Ca O
A7B6C16_cI116_220_ac_d_ce
a x2 x3 x4 x5 y5 z5
standard
1
12.1065 0.7327389 0.3158818 0.11152841 0.40029884 0.80613156 0.78513971
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000