../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner 
Al Ca O
A2B3C6_cP33_221_cd_ag_fh
a x4 x5 x6
standard
1
7.6615 0.76726461 0.29201108 0.23745209
Sim_LAMMPS_Buckingham_FreitasSantosColaco_2015_SiCaOAl__SM_154093256665_000