{ "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 0.75 ] [ 0.666667 0.333333 0.25 ] [ 0.333333 0.666667 0.530675 ] [ 0.666667 0.333333 0.030675 ] [ 0.666667 0.333333 0.469325 ] [ 0.333333 0.666667 0.969325 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0 0 0.25 ] [ 0 0 0.75 ] [ 0.333333 0.666667 0.25 ] [ 0.666667 0.333333 0.75 ] [ 0.168023 0.336047 0.121866 ] [ 0.831977 0.168023 0.621866 ] [ 0.336047 0.168023 0.621866 ] [ 0.663953 0.831977 0.121866 ] [ 0.168023 0.831977 0.121866 ] [ 0.831977 0.663953 0.878134 ] [ 0.831977 0.168023 0.878134 ] [ 0.831977 0.663953 0.621866 ] [ 0.336047 0.168023 0.878134 ] [ 0.663953 0.831977 0.378134 ] [ 0.168023 0.336047 0.378134 ] [ 0.168023 0.831977 0.378134 ] ] } "species" { "source-value" [ "La" "La" "Mg" "Mg" "Mg" "Mg" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" ] } "short-name" { "source-value" [ "hcp" ] } "a" { "source-value" 5.0751921001 "source-unit" "angstrom" } "c" { "source-value" 16.20631616 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 3.919843036666667 "source-unit" "eV" } }