../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner 
Ca Si
AB3_tI32_139_de_im
a c/a z2 x3 x4 z4
standard
1
7.2357 1.5706013 0.17404885 0.66561473 0.31457079 0.10554489
Sim_LAMMPS_Buckingham_FreitasSantosColaco_2015_SiCaOAl__SM_154093256665_000