../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner 
B H N
AB6C_mP16_4_a_6a_a
a b/a c/a beta x1 y1 z1 x2 y2 z2 x3 y3 z3 x4 y4 z4 x5 y5 z5 x6 y6 z6 x7 y7 z7 x8 y8 z8
standard
1
4.7 1.290234 0.99008511 93.0347 0.16365835 0.1261316 0.84608936 0.50625595 0.36813089 0.77780739 0.27002657 0.35622501 0.50090849 0.19119871 0.48434559 0.79952352 0.90870162 0.1241962 0.77922898 0.20310064 0.13122061 0.10825549 0.28331818 0.96819913 0.74395131 0.29334006 0.34825097 0.72139154
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003