../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner 
O Ti
AB_mC20_12_a2i_d2i
a b/a c/a beta x3 z3 x4 z4 x5 z5 x6 z6
standard
1
9.6414 0.44098367 0.62935881 72.0923 0.67646583 0.64517038 0.68264248 0.17194674 0.83966389 0.82181901 0.85923498 0.33298272
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003