../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner 
H Na O
A3BC2_oP48_61_3c_c_2c
a b/a c/a x1 y1 z1 x2 y2 z2 x3 y3 z3 x4 y4 z4 x5 y5 z5 x6 y6 z6
standard
1
6.1701 1.0030956 1.8747022 0.43122511 0.10460926 0.86788551 0.72247611 0.93183865 0.6342557 0.56270766 0.37729259 0.79238022 0.85973277 0.20059003 0.93996039 0.88661157 0.94672935 0.6282182 0.96971341 0.85503132 0.87483838
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000