../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner 
F I
A3B_oP16_62_cd_c
a b/a c/a x1 z1 x2 z2 x3 y3 z3
standard
1
4.752 1.5132576 2.2066498 0.3772821 0.526946 0.047678561 0.63287572 0.083643218 0.52324267 0.63297546
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003