../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner 
O Si
A2B_hP12_194_cg_f
a c/a z2
standard
1
5.2773 1.629337 0.43768244
Sim_LAMMPS_Buckingham_FreitasSantosColaco_2015_SiCaOAl__SM_154093256665_000