{ "developer" ["c429164b-1b03-4ce3-a3a8-2568dd2bc449"] "contributor-id" "c429164b-1b03-4ce3-a3a8-2568dd2bc449" "description" "Computes the monovacancy formation and migration energies for cubic and hcp monoatomic crystals." "domain" "openkim.org" "executables" ["runner" "test_template/runner"] "extended-id" "VacancyFormationMigration__TD_554849987965_000" "kim-api-version" "1.9.0" "maintainer-id" "2bc2738c-f70a-4eb1-b180-67562ea7e4d6" "properties" ["tag:staff@noreply.openkim.org,2015-09-16:property/monovacancy-neutral-migration-energy-crystal-npt" "tag:staff@noreply.openkim.org,2015-07-28:property/monovacancy-neutral-relaxed-formation-potential-energy-crystal-npt"] "publication-year" "2018" "simulator-name" "ase" "source-citations" [{"author" "J{\\'o}nsson, Hannes and Mills, Greg and Jacobsen, Karsten W." "booktitle" "Classical and quantum dynamics in condensed phase simulations" "doi" "10.1142/9789812839664_0016" "pages" "385--404" "recordkey" "TD_554849987965_000a" "recordtype" "inproceedings" "title" "Nudged elastic band method for finding minimum energy paths of transitions" "year" "1998"}] "title" "Vacancy formation and migration energies for cubic and hcp monoatomic crystals" }