../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner 
Ca Si
AB2_hP3_164_a_d
a c/a z2
standard
1
3.8998 1.2589876 0.58530267
Sim_LAMMPS_Buckingham_FreitasSantosColaco_2015_SiCaOAl__SM_154093256665_000