../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner O Si A2B_cI144_206_2de_e a x1 x2 x3 y3 z3 x4 y4 z4 standard 1 12.0878 0.99990998 0.72753021 0.37750788 0.86225898 0.36158481 0.37345964 0.7551385 0.44472022 Sim_LAMMPS_ReaxFF_ManzanoMoeiniMarinelli_2012_CaSiOH__SM_714124634215_000