../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner 
Ca Si
AB2_tI24_141_c_h
a c/a y2 z2
standard
1
5.8081 3.520635 0.031723534 0.15005553
Sim_LAMMPS_ReaxFF_ManzanoMoeiniMarinelli_2012_CaSiOH__SM_714124634215_000