../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner 
Cl F
AB_mP8_14_e_e
a b/a c/a beta x1 y1 z1 x2 y2 z2
standard
1
8.3771 0.44880687 0.88105669 131.3752 0.84604872 0.010888948 0.63647374 0.63092975 0.2791981 0.47825765
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003