../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner S A_mP32_13_8g a b/a c/a beta x1 y1 z1 x2 y2 z2 x3 y3 z3 x4 y4 z4 x5 y5 z5 x6 y6 z6 x7 y7 z7 x8 y8 z8 standard 1 9.2337 1.4994639 1.1816823 123.4081 0.36619056 0.64647507 0.68317962 0.2153105 0.42233185 0.65984691 0.26895413 0.55285387 0.76765152 0.41741364 0.32794245 0.7858565 0.91866752 0.19884769 0.13704699 0.76883782 0.97439651 0.016797223 0.71513706 0.10524651 0.073802525 0.86626533 0.88087746 0.19220932 LJ_ElliottAkerson_2015_Universal__MO_959249795837_003