../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner 
S
A_oP24_58_eg2h
a b/a c/a z1 x2 y2 x3 y3 z3 x4 y4 z4
standard
1
5.4809 1.755022 2.8911128 0.21361885 0.79590504 0.25766155 0.20348772 0.12909427 0.13689543 0.99787792 0.30218923 0.10661474
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003