../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner 
O Si
A2B_tP48_114_4e_2e
a c/a x1 y1 z1 x2 y2 z2 x3 y3 z3 x4 y4 z4 x5 y5 z5 x6 y6 z6
standard
1
11.5822 0.44847266 0.13939213 0.60833453 0.0014858048 0.82033515 0.18311884 0.20789 0.73532794 0.038575268 0.82754485 0.95594491 0.11922585 0.83451622 0.19971779 0.59751515 0.72197188 0.6556643 0.57590187 0.49003347
Sim_LAMMPS_ReaxFF_BrugnoliMiyataniAkaji_SiCeNaClHO_2023__SM_282799919035_000