{ "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" [ [ 0.333333 0.666667 0.064741 ] [ 0.666667 0.333333 0.564741 ] [ 0.666667 0.333333 0.935259 ] [ 0.333333 0.666667 0.435259 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.342102 0.171051 0.25 ] [ 0.171051 0.342102 0.75 ] [ 0.171051 0.828949 0.75 ] [ 0.828949 0.171051 0.25 ] [ 0.828949 0.657898 0.25 ] [ 0.657898 0.828949 0.75 ] ] } "species" { "source-value" [ "Y" "Y" "Y" "Y" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" ] } "short-name" { "source-value" [ "hcp" ] } "a" { "source-value" 6.05944341 "source-unit" "angstrom" } "c" { "source-value" 9.8398964 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 3.3115407275 "source-unit" "eV" } }