{"author" "Junhao Li"
 "contributor-id" "c429164b-1b03-4ce3-a3a8-2568dd2bc449"
 "data-method" "computation"
 "description" "Vacancy Diffusion Properties from DFT Calculation: Ca, fcc\n\nStructure parameters, such as host-a and host-alpha, are from the Materials Project (https://www.materialsproject.org/) (id: mp-45) because the author said they use similar DFT input parameters as the items in the Materials Project."
 "domain" "openkim.org"
 "maintainer-id" "c429164b-1b03-4ce3-a3a8-2568dd2bc449"
 "properties" ["tag:staff@noreply.openkim.org,2015-07-28:property/monovacancy-neutral-relaxed-formation-potential-energy-crystal-npt"]
 "short-id" "RD_258653052164_000"
 "source-citations" [{"author" "Thomas Angsten, Tam Mayeshiba, Henry Wu and Dane Morgan"
                      "doi" "10.1088/1367-2630/16/1/015018"
                      "journal" "New Journal of Physics"
                      "month" "Jan"
                      "number" "1"
                      "pages" "015018"
                      "recordkey" "RD_258653052164_000a"
                      "recordtype" "article"
                      "title" "Elemental vacancy diffusion database from high-throughput first-principles calculations for fcc and hcp structures"
                      "volume" "16"
                      "year" "2014"}
                     {"author" "Jain, Anubhav and Ong, Shyue Ping and Hautier, Geoffroy and Chen, Wei and Richards, William Davidson and Dacek, Stephen and Cholia, Shreyas and Gunter, Dan and Skinner, David and Ceder, Gerbrand and Persson, Kristin A."
                      "doi" "10.1063/1.4812323"
                      "journal" "APL Materials"
                      "number" "1"
                      "pages" "011002"
                      "recordkey" "RD_258653052164_000b"
                      "recordtype" "article"
                      "title" "Commentary: {T}he {M}aterials {P}roject: {A} materials genome approach to accelerating materials innovation"
                      "volume" "1"
                      "year" "2013"}]
 "species" ["Ca"]}