../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner 
B H N
AB8C_oP20_28_c_2c3d_a
a b/a c/a z1 y2 z2 y3 z3 y4 z4 x5 y5 z5 x6 y6 z6 x7 y7 z7
standard
1
8.4505 0.49638483 0.49061002 0.90086525 0.47016755 0.3298291 0.18048294 0.37928605 0.52217884 0.038181256 0.080027915 0.12281339 0.044577064 0.061180554 0.84012312 0.75586777 0.63047287 0.41477044 0.44947434
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003