../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner H Si A8B_oP18_31_6ab_a a b/a c/a y1 z1 y2 z2 y3 z3 y4 z4 y5 z5 y6 z6 y7 z7 x8 y8 z8 standard 1 4.9992 0.99893983 1.3804609 0.50875063 0.48279178 0.99671733 0.48267676 0.70982599 0.80827193 0.77850883 0.90502842 0.23691888 0.15760525 0.29318137 0.05648491 0.75249436 0.35836124 0.2433231 0.75295991 0.23368985 Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000