../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner 
Ca Si
AB_oC8_63_c_c
a b/a c/a y1 y2
standard
1
4.5463 2.3635044 0.85665266 0.13886994 0.43086519
Sim_LAMMPS_ReaxFF_ManzanoMoeiniMarinelli_2012_CaSiOH__SM_714124634215_000