../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner 
O Si
A2B_oF96_70_c2ef_h
a b/a c/a x2 x3 y4 x5 y5 z5
standard
2
23.1196 0.44497742 0.24145746 0.077396289 0.46547469 0.34283661 0.5590892 0.77528365 0.089550361
20.9372 0.72641518 0.22804864 0.329187 0.78556907 0.24887005 0.30838116 0.05888263 0.36670251
Sim_LAMMPS_ReaxFF_ManzanoMoeiniMarinelli_2012_CaSiOH__SM_714124634215_000