../../td/EquilibriumCrystalStructure__TD_457028483760_001/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_Vashishta_VashishtaKaliaRino_1990_SiO__SM_887826436433_000