../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner 
O Si
A2B_tP36_96_3b_ab
a c/a x1 x2 y2 z2 x3 y3 z3 x4 y4 z4 x5 y5 z5
standard
1
7.5919 1.155363 0.41597085 0.44385267 0.12373246 0.39990708 0.12056591 0.11543242 0.29613541 0.36362271 0.29597747 0.14614459 0.32604051 0.11962727 0.24592918
Sim_LAMMPS_Buckingham_FreitasSantosColaco_2015_SiCaOAl__SM_154093256665_000