../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner 
Cl I
A3B_aP8_2_3i_i
a b/a c/a alpha beta gamma x1 y1 z1 x2 y2 z2 x3 y3 z3 x4 y4 z4
standard
1
6.2411 1.4078448 0.95463941 84.1267 86.1018 70.8273 0.7324998 0.12767393 0.87690684 0.73990738 0.45204947 0.20938789 0.73980337 0.79522601 0.55428788 0.99961342 0.18366971 0.18123985
Sim_LAMMPS_EIM_Zhou_2010_BrClCsFIKLiNaRb__SM_259779394709_000