../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner 
B H
AB3_mP16_14_e_3e
a b/a c/a beta x1 y1 z1 x2 y2 z2 x3 y3 z3 x4 y4 z4
standard
1
6.5128 1.1812124 0.93451357 137.7253 0.99965971 0.53861598 0.36440251 0.10224394 0.60781957 0.62996639 0.78778113 0.62218726 0.13267261 0.21223419 0.50686922 0.41561983
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003