../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner 
Ca Si
AB2_hR3_166_a_c
a c/a x2
standard
1
3.8457509 4.1247073 0.80279489
Sim_LAMMPS_Buckingham_FreitasSantosColaco_2015_SiCaOAl__SM_154093256665_000