../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner 
Al Ca Si
ABC_hP3_187_a_d_e
a c/a
standard
1
4.2061 1.0414636
Sim_LAMMPS_Buckingham_FreitasSantosColaco_2015_SiCaOAl__SM_154093256665_000