../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner 
N O
AB2_mP12_14_e_2e
a b/a c/a beta x1 y1 z1 x2 y2 z2 x3 y3 z3
standard
2
6.1702 0.79013646 1.1027195 118.0594 0.84074191 0.99737673 0.97999436 0.72168077 0.80976473 0.86474368 0.79935321 0.18189153 0.075242071
7.1001 0.70591963 0.96874692 128.6149 0.14623711 0.99733928 0.15927647 0.16074547 0.81527737 0.28245846 0.27851442 0.17611624 0.19687085
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003