../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner 
H O
AB_tP16_92_b_b
a c/a x1 y1 z1 x2 y2 z2
standard
3
3.3303 3.4415518 0.87168765 0.41875442 0.0064889194 0.16347125 0.096676489 0.28529579
4.1409 1.8812335 0.92909713 0.29905445 0.12597662 0.05296338 0.18333488 0.21882133
3.326 3.4024053 0.8100756 0.35315499 0.0064663943 0.22091196 0.035440868 0.28718425
Sim_LAMMPS_ReaxFF_XiaoShiHao_2017_PHOC__SM_424780295507_000