../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner O Si A2B_oC48_63_defg_h a b/a c/a x2 y3 z3 x4 y4 x5 y5 z5 standard 1 9.6444 1.0811766 0.93911493 0.21216613 0.8413267 0.452511 0.19886684 0.87098576 0.83557118 0.13445924 0.57489414 Sim_LAMMPS_ReaxFF_ManzanoMoeiniMarinelli_2012_CaSiOH__SM_714124634215_000