../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner 
Ca O Si
A3B5C_hR27_160_3b_6a3b_3a
a c/a x1 x2 x3 x4 x5 x6 x7 x8 x9 x10 z10 x11 z11 x12 z12 x13 z13 x14 z14 x15 z15
standard
2
7.1780723 3.5462661 0.072847672 0.28577901 0.85207124 0.38620145 0.50035722 0.61576313 0.0072738479 0.22146276 0.78632559 0.50205838 0.0015456912 0.29519493 0.74625416 0.70780726 0.25685391 0.86001593 0.23554642 0.32657063 0.94999492 0.63936691 0.01169487
7.0905019 3.635802 0.16932263 0.59781366 0.84951157 0.074387527 0.72518771 0.37923781 0.010950328 0.44448765 0.2322586 0.50499154 0.98112355 0.94201755 0.46735296 0.73778055 0.21317071 0.13048647 0.50589536 0.59266824 0.21520442 0.86417943 0.24634796
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000