../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner 
H O
A2B_oP36_19_6a_3a
a b/a c/a x1 y1 z1 x2 y2 z2 x3 y3 z3 x4 y4 z4 x5 y5 z5 x6 y6 z6 x7 y7 z7 x8 y8 z8 x9 y9 z9
standard
2
8.1191 0.48961092 1.026296 0.83845746 0.47836404 0.96628547 0.79578162 0.76492415 0.093553911 0.46884529 0.31664231 0.77254463 0.32596556 0.39780952 0.65311513 0.47422216 0.58779072 0.28548628 0.41136067 0.86541171 0.41356467 0.74759139 0.62405845 0.0067511032 0.38746532 0.49611754 0.74525964 0.51092873 0.76730654 0.36110249
8.2589 0.9950962 0.48077831 0.097305262 0.70813356 0.26530607 0.051989085 0.83803108 0.98263773 0.71892355 0.5253079 0.42594557 0.57438272 0.4072474 0.35812944 0.65035836 0.16965877 0.89276677 0.77331858 0.030999137 0.81230787 0.0065604222 0.74885543 0.1238067 0.63829749 0.49584252 0.24923831 0.74486096 0.11131757 0.99185725
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000