../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner 
B N
AB_mC16_9_2a_2a
a b/a c/a beta x1 y1 z1 x2 y2 z2 x3 y3 z3 x4 y4 z4
standard
1
3.2838 2.8721603 1.8649431 136.8992 0.49953374 0.68410777 0.99985522 0.86300444 0.55621542 0.491823 0.42266774 0.5537845 0.84067158 0.76743865 0.68400723 0.32132022
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003