{ "title" "Monovacancy formation energy and relaxation volume for cubic and hcp monoatomic crystals" "extended-id" "VacancyFormationEnergyRelaxationVolume__TD_647413317626_000" "simulator-name" "ase" "properties" ["tag:staff@noreply.openkim.org,2015-07-28:property/monovacancy-neutral-unrelaxed-formation-potential-energy-crystal-npt" "tag:staff@noreply.openkim.org,2015-07-28:property/monovacancy-neutral-relaxed-formation-potential-energy-crystal-npt" "tag:staff@noreply.openkim.org,2015-07-28:property/monovacancy-neutral-relaxation-volume-crystal-npt"] "developer" ["c429164b-1b03-4ce3-a3a8-2568dd2bc449"] "description" "Computes the monovacancy formation energy and relaxation volume for cubic and hcp monoatomic crystals." "contributor-id" "c429164b-1b03-4ce3-a3a8-2568dd2bc449" "maintainer-id" "2bc2738c-f70a-4eb1-b180-67562ea7e4d6" "publication-year" "2018" "kim-api-version" "1.9.0" "executables" ["runner" "test_template/runner"] "domain" "openkim.org" }