../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner 
O Si
A2B_tP3_123_h_a
a c/a z2
standard
1
2.4116 2.3361254 0.80662489
Sim_LAMMPS_Buckingham_FreitasSantosColaco_2015_SiCaOAl__SM_154093256665_000