{"description" "Calculates lattice constant by minimizing energy function.\n\nThis version fixes the output format problems in species and stress, and adds support for PURE and OPBC neighbor lists. The cell used for calculation is switched from a hexagonal one to an orthorhombic one to comply with the requirement of OPBC."
 "domain" "openkim.org"
 "extended-id" "LatticeConstantHexagonalEnergy__TD_942334626465_003"
 "kim-api-version" "1.9.0"
 "pipeline-api-version" "1.0"
 "properties" ["tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-free-energy-hexagonal-crystal"
               "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt"]
 "title" "Equilibrium lattice constants for hexagonal bulk structures"
 "creator" "Junhao Li"
 "contributor-id" "c429164b-1b03-4ce3-a3a8-2568dd2bc449"
 "maintainer-id" "c429164b-1b03-4ce3-a3a8-2568dd2bc449"
 "simulator-name" "ase"
 "publication-year" "2017"}