../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner O Si A2B_tI48_121_2ij_fi a c/a x1 x2 z2 x3 z3 x4 z4 x5 y5 z5 standard 1 12.9556 0.39637686 0.15445561 0.42048389 0.6672946 0.26609614 0.98156786 0.30021946 0.2710218 0.22266968 0.92485531 0.18977244 Sim_LAMMPS_Vashishta_VashishtaKaliaRino_1990_SiO__SM_887826436433_000