../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner 
C H O
AB2C_oP80_60_c2d_5d_c2d
a b/a c/a y1 y2 x3 y3 z3 x4 y4 z4 x5 y5 z5 x6 y6 z6 x7 y7 z7 x8 y8 z8 x9 y9 z9 x10 y10 z10 x11 y11 z11
standard
1
8.3779 1.302355 0.93903007 0.0055976307 0.39603281 0.27320821 0.63725026 0.30410201 0.40956961 0.82695426 0.36824384 0.45774976 0.44813508 0.35556668 0.30552576 0.60793114 0.43384904 0.14950563 0.61134274 0.2752196 0.48557147 0.75967684 0.43446358 0.360958 0.89501794 0.45691948 0.37316064 0.57693153 0.18202617 0.27834912 0.76608798 0.28823648
Sim_LAMMPS_ReaxFF_ChenowethVanDuinGoddard_2008_CHO__SM_584143153761_001