{ "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" [ [ 0.237734 0 0.25 ] [ 0 0.762266 0.75 ] [ 0 0.237734 0.25 ] [ 0.333333 0.666667 0.5 ] [ 0.762266 0 0.75 ] [ 0.666667 0.333333 0.5 ] [ 0.237734 0.237734 0.75 ] [ 0.333333 0.666667 0 ] [ 0.666667 0.333333 0 ] [ 0.762266 0.762266 0.25 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.599559 0 0.25 ] [ 0.400441 0 0.75 ] [ 0 0.599559 0.25 ] [ 0.599559 0.599559 0.75 ] [ 0.400441 0.400441 0.25 ] [ 0 0.400441 0.75 ] ] } "species" { "source-value" [ "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Ni" "Ni" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" ] } "a" { "source-value" 9.17653559679 "source-unit" "angstrom" } "c" { "source-value" 6.71958326 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 4.962789018888889 "source-unit" "eV" } }