../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner 
Ca Si
AB_oP4_47_i_i
a b/a c/a x1 x2
standard
1
35.8865 0.080484305 0.081601717 0.95381436 0.12850626
Sim_LAMMPS_ReaxFF_ManzanoMoeiniMarinelli_2012_CaSiOH__SM_714124634215_000