../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner 
Ca O Si
AB3C_cI40_204_ab_g_c
a y4 z4
standard
1
7.2168 0.2596722 0.76000304
Sim_LAMMPS_ReaxFF_ManzanoMoeiniMarinelli_2012_CaSiOH__SM_714124634215_000