../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner 
H O
A2B_tP36_92_3b_ab
a c/a x1 x2 y2 z2 x3 y3 z3 x4 y4 z4 x5 y5 z5
standard
1
6.5377 1.0609542 0.39584858 0.98730823 0.33930339 0.19686944 0.11559022 0.15477442 0.28634219 0.29944526 0.36090424 0.1075694 0.1124648 0.30762733 0.2743784
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000