../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner 
Ca
A_tI8_140_h
a c/a x1
standard
1
7.4277 0.87422755 0.169563
Sim_LAMMPS_Buckingham_FreitasSantosColaco_2015_SiCaOAl__SM_154093256665_000