{ "contributor-id" "4d62befd-21c4-42b8-a472-86132e6591f3" "description" "Calculates lattice constant of hexagonal bulk structures at zero temperature and pressure by using simplex minimization to minimize the potential energy." "developer" [ "4d62befd-21c4-42b8-a472-86132e6591f3" "c429164b-1b03-4ce3-a3a8-2568dd2bc449" ] "doi" "10.25950/c339ca32" "domain" "openkim.org" "executables" [ "runner" "test_template/runner" ] "extended-id" "LatticeConstantHexagonalEnergy__TD_942334626465_005" "kim-api-version" "2.0" "maintainer-id" "4d62befd-21c4-42b8-a472-86132e6591f3" "properties" [ "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" ] "publication-year" "2019" "simulator-name" "ase" "title" "Equilibrium lattice constants for hexagonal bulk structures at zero temperature and pressure v005" }