../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner 
Al Ca Si
A2BC2_hP5_164_d_a_d
a c/a z2 z3
standard
1
4.1593 1.7040127 0.37009927 0.73610119
Sim_LAMMPS_Buckingham_FreitasSantosColaco_2015_SiCaOAl__SM_154093256665_000