../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner N A_oP2_51_e a b/a c/a z1 standard 1 7.3041 0.4598787 0.18035076 0.73032605 Sim_LAMMPS_ExTeP_LosKroesAlbe_2017_BN__SM_692329995993_000