{ "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 0.73254 0.75 ] [ 0.73254 0.73254 0.25 ] [ 0.26746 0.26746 0.75 ] [ 0.73254 0 0.75 ] [ 0.333333 0.666667 0.5 ] [ 0.26746 0 0.25 ] [ 0 0.26746 0.25 ] [ 0.666667 0.333333 0.5 ] [ 0.333333 0.666667 0 ] [ 0.666667 0.333333 0 ] [ 0.389077 0.389077 0.25 ] [ 0 0.389077 0.75 ] [ 0.610923 0.610923 0.75 ] [ 0 0.610923 0.25 ] [ 0.610923 0 0.25 ] [ 0.389077 0 0.75 ] ] } "species" { "source-value" [ "Yb" "Yb" "Yb" "Yb" "Yb" "Yb" "Yb" "Yb" "Yb" "Yb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" ] } "a" { "source-value" 9.45733381773 "source-unit" "angstrom" } "c" { "source-value" 6.83010973 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 2.86074107 "source-unit" "eV" } }