../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner 
Ca O Si
AB3C_tI20_140_b_ah_c
a c/a x4
standard
1
5.0809 1.4329351 0.77677747
Sim_LAMMPS_Buckingham_FreitasSantosColaco_2015_SiCaOAl__SM_154093256665_000