../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner 
Ca Mg Zn
A4B13C29_hP92_194_ah_c2k_fhi2jk
a c/a z3 x4 x5 x6 x7 y7 x8 y8 x9 z9 x10 z10 x11 z11
standard
1
14.827 0.58437985 0.59932971 0.54366847 0.92914135 0.63716929 0.31151317 0.24460092 0.11717983 0.70879313 0.12111018 0.43240901 0.23027239 0.95285806 0.56736482 0.90801466
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003