../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner 
H O
A2B_mP12_4_4a_2a
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
4.4047 1.6143665 0.97441369 61.8402 0.32550204 0.96273838 0.87334756 0.073718017 0.24232287 0.85631657 0.532338 0.26726333 0.31251939 0.4368971 0.25895321 0.85498429 0.31521191 0.19174281 0.7405473 0.660582 0.3269794 0.07240481
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000