../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner 
C H O
A3B2C4_tP36_76_3a_2a_4a
a c/a x1 y1 z1 x2 y2 z2 x3 y3 z3 x4 y4 z4 x5 y5 z5 x6 y6 z6 x7 y7 z7 x8 y8 z8 x9 y9 z9
standard
1
6.2717 1.7709712 0.82092583 0.41854229 0.073928004 0.91934015 0.31945899 0.1867982 0.11036204 0.61241729 0.13169148 0.091391045 0.76534671 0.17836499 0.265049 0.59876925 0.086361935 0.66486674 0.36134092 0.018595557 0.94207152 0.58930949 0.044932206 0.86251691 0.1622807 0.24128077 0.089186294 0.44112091 0.21674685
Sim_LAMMPS_ReaxFF_XiaoShiHao_2017_PHOC__SM_424780295507_000