{ "content-origin" "https://arxiv.org/abs/1906.08888" "contributor-id" "f90c21e9-0235-405f-9651-d5d0e0fa51da" "description" "A quadratic spectral neighbor analysis potential for Li. The potential is trained against diverse and large materials data, including bulk bcc Li, strained bcc Li, 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, 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 Li bcc 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" "10.25950/296c78f3" "domain" "openkim.org" "executables" [] "extended-id" "SNAP_ZuoChenLi_2019quadratic_Li__MO_041269750353_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_041269750353_000a" "recordprimary" "recordprimary" "recordtype" "article" } ] "species" [ "Li" ] "title" "A quadratic spectral neighbor analysis potential for Li developed by Yunxing Zuo v000" }