../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner 
O Si
A2B_hP9_180_i_d
a c/a x2
standard
1
5.1077 1.0935059 0.20837965
Sim_LAMMPS_Buckingham_FreitasSantosColaco_2015_SiCaOAl__SM_154093256665_000