H diamond Sim_LAMMPS_ADP_SmirnovaStarikovVlasova_2018_MgH__SM_899925688973_000 3.56791216135025 Optimization terminated successfully. Current function value: -21.706343 Iterations: 91 Function evaluations: 243 C11 = 320.446105 +/- 0.007336 GPa C12 = 133.037553 +/- 0.005187 GPa C44 = 146.910839 +/- 0.001834 GPa B = 195.507070 +/- 0.004235 GPa