../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner 
Al Ca O Si
A12BC27D4_hP44_147_2g_a_bd4g_2d
a c/a z3 z4 z5 x6 y6 z6 x7 y7 z7 x8 y8 z8 x9 y9 z9 x10 y10 z10 x11 y11 z11
standard
1
7.3078 1.1894277 0.75063759 0.1412309 0.55331834 0.63274806 0.085688031 0.134954 0.050128126 0.25691091 0.35291777 0.30191187 0.45698733 0.00062729633 0.81999276 0.044896643 0.24091541 0.10387503 0.4917248 0.23807154 0.25489954 0.42058405 0.50800704
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003