../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner 
O Si
A2B_tP48_85_4g_2g
a c/a x1 y1 z1 x2 y2 z2 x3 y3 z3 x4 y4 z4 x5 y5 z5 x6 y6 z6
standard
1
11.7737 0.37219396 0.75070786 0.43764345 0.51086144 0.074332732 0.93011777 0.86349506 0.75414186 0.56165728 0.012539893 0.88902892 0.89081513 0.51141361 0.83350855 0.51210992 0.73140407 0.82974159 0.98709477 0.28625944
Sim_LAMMPS_Buckingham_FreitasSantosColaco_2015_SiCaOAl__SM_154093256665_000