../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner 
O Si
A2B_tI48_121_2ij_fi
a c/a x1 x2 z2 x3 z3 x4 z4 x5 y5 z5
standard
1
12.9556 0.39637686 0.15445561 0.42048389 0.6672946 0.26609614 0.98156786 0.30021946 0.2710218 0.22266968 0.92485531 0.18977244
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000