../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner Mo Se A9B11_oC80_63_cfgh_cf2gh a b/a c/a y1 y2 y3 z3 y4 z4 x5 y5 x6 y6 x7 y7 x8 y8 z8 x9 y9 z9 standard 1 12.0426 1.1038729 0.94800957 0.3511445 0.010403276 0.17723473 0.12935709 0.35002865 0.019815048 0.81095288 0.12125573 0.31879004 0.95631994 0.64199209 0.24058334 0.30924871 0.79137187 0.12561199 0.17652739 0.11601382 0.021870695 Tersoff_LAMMPS_ZhangNguyen_2021_MoSe__MO_152208847456_001