../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner 
O Si
A2B_tI12_122_d_a
a c/a x2
standard
1
5.0585 1.4508649 0.91281159
Sim_LAMMPS_ReaxFF_ManzanoMoeiniMarinelli_2012_CaSiOH__SM_714124634215_000