../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner 
O Si
A2B_cP12_205_c_a
a x2
standard
1
4.4868 0.34394406
Sim_LAMMPS_ReaxFF_ManzanoMoeiniMarinelli_2012_CaSiOH__SM_714124634215_000