2021-05-30_AlMgCu_HalfStructures.tar.gz contains all NNPs used in this work see n2p2 documentation for further details as to how to use this code ALL-structures_input.data.tar.gz All structures prior to removal via furthest point sampling FPS-structures_input.data.tar.gz Structures after removal via furthest point sampling computed_properties.tar.gz contains a summary of all the data collected and plotted in this work. In general the metadata follows the following syntax: STRUCTURE_NAME-STRUCTURE_PROPERTY Where everything left of hyphen is the structure label (using the OQMD label) and everything right of the hyphen is the property value e.g. the 111 surface enenrgy of Aluminum (OQMD=8100) would be: 8100-SurfaceEnergy_111 The following metadata is collected (not for all structures) alpha, beta, gamma: Lattice angles volume_peratom: the volume per atom symmnumber, symmsymbol: the space group number & symbol lattice_a, lattice_b, lattice_c: Lattice lengths formation_energy: Formation energy w.r.t. solutes in Al C_ij, g_voigt, k_voigt: Elastic constants SurfaceEnergy_XXX: Surface energy for the XXX plane StableSF: Stable stacking fault energy UnstableSF: Unstable stacking fault energy Antisite_XXX: Structure index, formation energy, wyckoff symbols, etc. for antisites SolSol_X_Y_BindingEnergy: The binding energy between elements X and Y SolSF_X: Solute stacking fault energy for element X MisfitVol_X: Misfit Volume for element X ClusterE_XXX: Formation energy for cluster XXX