../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner 
O Si
A2B_cI72_230_g_d
a y2
standard
1
10.224 0.71763534
Sim_LAMMPS_ReaxFF_ManzanoMoeiniMarinelli_2012_CaSiOH__SM_714124634215_000