../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner 
O Si
A2B_mC72_12_gh2i4j_3j
a b/a c/a beta y1 y2 x3 z3 x4 z4 x5 y5 z5 x6 y6 z6 x7 y7 z7 x8 y8 z8 x9 y9 z9 x10 y10 z10 x11 y11 z11
standard
1
14.178 0.97388912 0.53089293 77.5653 0.85547657 0.75914073 0.90156947 0.88940569 0.73338116 0.38911088 0.81119318 0.87188646 0.13432788 0.37403541 0.31896317 0.79550105 0.67100394 0.82070635 0.41129064 0.84664328 0.86136549 0.46695906 0.39701308 0.38718031 0.95531743 0.76595522 0.88793193 0.34995355 0.38750062 0.28026395 0.5883036
Sim_LAMMPS_Buckingham_FreitasSantosColaco_2015_SiCaOAl__SM_154093256665_000