../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner 
Al Ca O Si
A2B2C7D_tP24_113_e_e_cef_a
a c/a z2 x3 z3 x4 z4 x5 z5 x6 y6 z6
standard
1
7.6759 0.67560807 0.82227926 0.14425315 0.97539775 0.34465717 0.51537681 0.1452187 0.3092328 0.15110751 0.093873907 0.17757643
Sim_LAMMPS_Buckingham_FreitasSantosColaco_2015_SiCaOAl__SM_154093256665_000