../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner 
Cl I
AB_mP16_14_2e_2e
a b/a c/a beta x1 y1 z1 x2 y2 z2 x3 y3 z3 x4 y4 z4
standard
3
12.8302 0.41315022 0.91465449 112.6443 0.10891175 0.33720201 0.89066101 0.43729588 0.69884684 0.32794977 0.19271709 0.14029306 0.10912482 0.28355695 0.91883072 0.35454434
9.6302 0.87972212 0.88766588 88.8605 0.71998783 0.2044884 0.6463665 0.10937205 0.28266946 0.88789281 0.47719872 0.12229289 0.74924388 0.20534029 0.019411033 0.8618362
12.997 0.38190352 0.99846888 109.3041 0.068749294 0.35815977 0.91726835 0.44023939 0.44425624 0.60629222 0.19443378 0.37823404 0.81466487 0.28953172 0.60087325 0.65604776
Sim_LAMMPS_EIM_Zhou_2010_BrClCsFIKLiNaRb__SM_259779394709_001