../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner 
La O
A2B3_hP5_189_c_g
a c/a x2
standard
1
6.3886 0.5208966 0.49707238
Sim_LAMMPS_Buckingham_FangKeltyHe_2014_LaO__SM_576027677976_000