../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner O Si A2B_oC96_21_2ehk6l_4l a b/a c/a x1 x2 y3 z4 x5 y5 z5 x6 y6 z6 x7 y7 z7 x8 y8 z8 x9 y9 z9 x10 y10 z10 x11 y11 z11 x12 y12 z12 x13 y13 z13 x14 y14 z14 standard 1 20.3784 0.83007989 0.25542241 0.10052144 0.29936007 0.20911845 0.47549265 0.18577203 0.35693994 0.19589233 0.1956713 0.37562991 0.69595622 0.12009439 0.26306378 0.50190587 0.085462652 0.14583802 0.18232417 0.097615551 0.11893344 0.68122464 0.69991583 0.60249463 0.99521255 0.18840254 0.31083145 0.46832427 0.076141402 0.18385106 0.4667168 0.62107522 0.59200047 0.96565829 0.77895269 0.5922375 0.97149323 Sim_LAMMPS_Buckingham_FreitasSantosColaco_2015_SiCaOAl__SM_154093256665_000