../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner 
Ca H
AB2_hP6_194_c_ad
a c/a
standard
1
3.799 1.4002895
Sim_LAMMPS_ReaxFF_ManzanoMoeiniMarinelli_2012_CaSiOH__SM_714124634215_000