{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P6_3/mmc" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0 0.5 ] [ 0.830054 0.660108 0.25 ] [ 0.169946 0.830054 0.75 ] [ 0.660108 0.830054 0.75 ] [ 0.339892 0.169946 0.25 ] [ 0.830054 0.169946 0.25 ] [ 0.169946 0.339892 0.75 ] [ 0.333333 0.666667 0.062827 ] [ 0.666667 0.333333 0.562827 ] [ 0.666667 0.333333 0.937173 ] [ 0.333333 0.666667 0.437173 ] ] } "species" { "source-value" [ "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "W" "W" "W" "W" ] } "short-name" { "source-value" [ "hcp" ] } "a" { "source-value" 4.45843352026 "source-unit" "angstrom" } "c" { "source-value" 7.33637082 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 7.115657368333333 "source-unit" "eV" } }