../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner 
Al Fe Si
A2B3C3_aP16_2_2i_3i_3i
a b/a c/a alpha beta gamma 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
7.7148 0.84899155 0.6246565 78.7069 105.5482 78.2438 0.2774056 0.32616317 0.060501596 0.039392811 0.32355357 0.41512226 0.40118172 0.68420635 0.013022829 0.068488375 0.67205978 0.12230331 0.23364294 0.96104897 0.37530458 0.53648389 0.94244702 0.27938711 0.34198566 0.55863066 0.53711925 0.11062741 0.98859458 0.81893408
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003