../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner Mg Si A5B6_mC22_12_a2i_3i a b/a c/a beta x2 z2 x3 z3 x4 z4 x5 z5 x6 z6 standard 2 15.8764 0.25123454 0.99731677 156.3372 0.77961926 0.95191906 0.33854139 0.43160421 0.84694271 0.30220914 0.42412991 0.72922361 0.042526928 0.34268373 15.1295 0.26900426 0.94182227 152.7645 0.27844523 0.93445559 0.79545694 0.37240415 0.3879689 0.33007323 0.93248623 0.74021534 0.57680354 0.36828704 Sim_LAMMPS_MEAM_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__SM_656517352485_000