../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner 
O P
A2B_mC48_15_2e3f_2f
a b/a c/a beta y1 y2 x3 y3 z3 x4 y4 z4 x5 y5 z5 x6 y6 z6 x7 y7 z7
standard
1
9.9738 1.0586336 0.73534661 82.5225 0.37973742 0.04128251 0.59141584 0.29167574 0.5221326 0.65798696 0.2904183 0.8439076 0.25233968 0.96564056 0.61325299 0.53854363 0.18677358 0.93956661 0.13882294 0.88278211 0.67628171
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000