../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner 
Ca O
AB_hP4_194_c_d
a c/a
standard
1
4.0118 1.2002592
Sim_LAMMPS_ReaxFF_ManzanoMoeiniMarinelli_2012_CaSiOH__SM_714124634215_000