../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner 
O Si
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
5.2306 1.6197377 0.99137766 60.8125 0.33360293 0.24919048 0.33280637 0.52288072 0.97272721 0.064105141 0.021899298 0.98999827 0.56484657 0.52072699 0.034510076 0.56501465 0.34868982 0.061711359 0.37970523 0.31750856 0.4367626 0.28690918
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000