{ "content-origin" "https://arxiv.org/abs/1906.08888" "contributor-id" "f90c21e9-0235-405f-9651-d5d0e0fa51da" "description" "A quadratic spectral neighbor analysis potential for Ni. The potential is trained against diverse and large materials data, including bulk fcc Ni, strained fcc Ni, ab-initio molecular dynamics (AIMD) simulated random structures, melted structures, vacancy-containing structures, surfaces. The potential gives accurate predictions of structural energies, forces, elasticity, lattice parameters, vacancy formation energy, vacancy migration barrier, equation-of-state, phonon." "developer" [ "f90c21e9-0235-405f-9651-d5d0e0fa51da" "b0f22d8c-cf78-4215-b781-c110020850a3" "e5131db4-a5f4-401b-b7cd-b0df1dbbc1af" "48d590b5-bf20-4376-a1b2-d5464b39962d" "7be451d3-3850-471c-96f2-5cf12fa62254" "d1cb63f0-d021-44b8-b2da-f73a754a252d" "61b43fbb-321e-4137-9dfb-24f585c01f8f" "612540c1-4a96-444c-bd4a-dc7500fceab8" "8e094560-62f1-47e7-9d39-6a6748d0418d" "962a06df-f68d-46c9-8702-2c187ecff29d" "40313cf5-d4a5-489e-8e22-2d6e9c97176e" ] "disclaimer" "This potential is designed for Ni fcc systems. It is not appropriate for other elements. The potential was trained using LAMMPS version 12Dec2018. Newer LAMMPS may see energy differences, but the relative values should remain to be the same." "doi" "10.25950/bb9fc732" "domain" "openkim.org" "executables" [] "extended-id" "SNAP_ZuoChenLi_2019quadratic_Ni__MO_263593395744_000" "kim-api-version" "2.0" "maintainer-id" "f90c21e9-0235-405f-9651-d5d0e0fa51da" "model-driver" "SNAP__MD_536750310735_000" "potential-type" "snap" "publication-year" "2020" "source-citations" [ { "title" "Performance and Cost Assessment of Machine Learning Interatomic Potentials" "author" "Zuo, Yunxing and Chen, Chi and Li, Xiangguo and Deng, Zhi and Chen, Yiming and Behler, J{\\\"o}rg and Cs{\\'a}nyi, G{\\'a}bor and Shapeev, Alexander V. and Thompson, Aidan P. and Wood, Mitchell A. and Ong, Shyue Ping" "journal" "The Journal of Physical Chemistry A" "volume" "124" "number" "4" "pages" "731--745" "year" "2020" "doi" "10.1021/acs.jpca.9b08723" "recordkey" "MO_263593395744_000a" "recordprimary" "recordprimary" "recordtype" "article" } ] "species" [ "Ni" ] "title" "A quadratic spectral neighbor analysis potential for Ni developed by Yunxing Zuo v000" }