{ "content-other-locations" "https://doi.org/10.1103/PhysRevB.98.094104\nhttps://arxiv.org/abs/1806.04777" "contributor-id" "e5131db4-a5f4-401b-b7cd-b0df1dbbc1af" "description" "A spectral neighbor analysis potential for Cu. The potential is trained against diverse and large materials data, including bulk fcc Cu, strained fcc Cu, ab-initio molecular dynamics (AIMD) simulated random structures, melted structures, surfaces, strained melted structures. The potential gives accurate predictions of structural energies, forces, elasticity, lattice parameters, vacancy migration barrier, equation-of-state, phonon, free energies, melting point, and surface energies." "developer" [ "802ed5f8-01e2-4fe6-87f9-e2c7f8f47ae7" "f53d352a-d81d-4808-8935-ffdbecc6e024" "e5131db4-a5f4-401b-b7cd-b0df1dbbc1af" "b0f22d8c-cf78-4215-b781-c110020850a3" "48d590b5-bf20-4376-a1b2-d5464b39962d" "40313cf5-d4a5-489e-8e22-2d6e9c97176e" ] "disclaimer" "This potential is designed for Cu fcc systems. It is not appropriate for other elements. The potential was trained using LAMMPS version 17Nov2016. Newer LAMMPS may see energy differences, but the relative values should remain to be the same." "doi" "10.25950/c469334f" "domain" "openkim.org" "executables" [] "extended-id" "SNAP_LiHuChen_2018_Cu__MO_529419924683_000" "kim-api-version" "2.0" "maintainer-id" "e5131db4-a5f4-401b-b7cd-b0df1dbbc1af" "model-driver" "SNAP__MD_536750310735_000" "potential-type" "snap" "publication-year" "2020" "source-citations" [ { "author" "Li, Xiang-Guo and Hu, Chongze and Chen, Chi and Deng, Zhi and Luo, Jian and Ong, Shyue Ping" "doi" "10.1103/PhysRevB.98.094104" "journal" "Physical Review B" "month" "sep" "number" "9" "pages" "094104" "recordkey" "MO_529419924683_000a" "recordprimary" "recordprimary" "recordtype" "article" "title" "Quantum-Accurate Spectral Neighbor Analysis Potential Models for {{Ni}}-{{Mo}} Binary Alloys and Fcc Metals" "volume" "98" "year" "2018" } ] "species" [ "Cu" ] "title" "A spectral neighbor analysis potential for Cu developed by Xiangguo Li (2019) v000" }