../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner 
H W
A3B_mP8_11_3e_e
a b/a c/a beta x1 z1 x2 z2 x3 z3 x4 z4
standard
2
5.1266 0.61128233 0.64317481 105.1208 0.89923079 0.58352472 0.14026994 0.090523082 0.65468773 0.0047290463 0.30566811 0.64915262
6.7247 0.4555891 0.45784942 101.6439 0.81492628 0.44594847 0.18677562 0.10108061 0.63176888 0.92587841 0.36260902 0.673009
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003