../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner 
Ca Si
AB2_hR6_166_c_2c
a c/a x1 x2 x3
standard
1
3.8848956 7.8159275 0.91996424 0.81742379 0.65322287
Sim_LAMMPS_Buckingham_FreitasSantosColaco_2015_SiCaOAl__SM_154093256665_000