../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner B N AB_tP8_131_j_l a c/a x1 x2 standard 1 9.1294 0.28730256 0.71602778 0.71577242 Sim_LAMMPS_ExTeP_LosKroesAlbe_2017_BN__SM_692329995993_001