../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner 
Cs I
AB4_mP20_14_e_4e
a b/a c/a beta x1 y1 z1 x2 y2 z2 x3 y3 z3 x4 y4 z4 x5 y5 z5
standard
1
15.6268 0.63085853 0.82626641 143.3748 0.21965536 0.86394247 0.26862799 0.95510674 0.089123675 0.1927247 0.66754129 0.70492096 0.92879486 0.33527106 0.23674187 0.32311358 0.64480474 0.36546461 0.38032153
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003