../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner 
Ca Si
AB2_hP3_191_a_d
a c/a
standard
1
4.0814 1.0486843
Sim_LAMMPS_ReaxFF_ManzanoMoeiniMarinelli_2012_CaSiOH__SM_714124634215_000