{ "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/mcm" } "basis-atom-coordinates" { "source-value" [ [ 0.333333 0.666667 0 ] [ 0.666667 0.333333 0.5 ] [ 0.666667 0.333333 0 ] [ 0.333333 0.666667 0.5 ] [ 0.234805 0 0.25 ] [ 0.234805 0.234805 0.75 ] [ 0 0.765195 0.75 ] [ 0 0.234805 0.25 ] [ 0.765195 0.765195 0.25 ] [ 0.765195 0 0.75 ] [ 0.597657 0 0.25 ] [ 0.597657 0.597657 0.75 ] [ 0 0.402343 0.75 ] [ 0 0.597657 0.25 ] [ 0.402343 0.402343 0.25 ] [ 0.402343 0 0.75 ] ] } "species" { "source-value" [ "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tl" "Tl" "Tl" "Tl" "Tl" "Tl" ] } "a" { "source-value" 9.08628692552 "source-unit" "angstrom" } "c" { "source-value" 6.67142097 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 4.082475446875 "source-unit" "eV" } }