../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner 
B
A_oP28_58_3g2h
a b/a c/a x1 y1 x2 y2 x3 y3 x4 y4 z4 x5 y5 z5
standard
1
5.0403 1.1128306 1.3731722 0.85200534 0.22879577 0.33564542 0.50803884 0.67015317 0.97939715 0.15280966 0.59256829 0.79091291 0.83940182 0.71887849 0.87435176
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003