../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner 
O Si
A2B_mP24_14_4e_2e
a b/a c/a beta x1 y1 z1 x2 y2 z2 x3 y3 z3 x4 y4 z4 x5 y5 z5 x6 y6 z6
standard
1
8.7091 0.5697374 1.1502566 123.9617 0.78925885 0.16497316 0.80836652 0.71822615 0.35196431 0.015322671 0.48040729 0.022269355 0.78712093 0.058219038 0.28639823 0.76661534 0.62681973 0.26484179 0.82970055 0.87580824 0.10026463 0.7043275
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000