../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner Mg O AB_mC48_15_3f_3f a b/a c/a beta x1 y1 z1 x2 y2 z2 x3 y3 z3 x4 y4 z4 x5 y5 z5 x6 y6 z6 standard 1 15.1321 0.5764765 0.37538081 89.7107 0.77860884 0.60204992 0.42335598 0.93372104 0.89586171 0.42462203 0.83747284 0.7786032 0.92296865 0.93271567 0.89215589 0.070703329 0.78050399 0.59890593 0.073470851 0.84022153 0.77644277 0.57303582 Sim_LAMMPS_Buckingham_SunStirnerHagston_2006_MgO__SM_152356670345_000