../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner 
Ca O Si
AB3C_tP10_127_c_bg_a
a c/a x4
standard
1
5.0863 0.71462556 0.23370742
Sim_LAMMPS_ReaxFF_ManzanoMoeiniMarinelli_2012_CaSiOH__SM_714124634215_000