{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-cubic-crystal" "instance-id" 1 "space-group" { "source-value" "Fd-3m" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.75 0.25 ] [ 0.75 0.75 0 ] [ 0.5 0.5 0 ] [ 0.75 0.5 0.25 ] [ 0.5 0.25 0.75 ] [ 0.75 0.25 0.5 ] [ 0.5 0 0.5 ] [ 0.75 0 0.75 ] [ 0 0.75 0.75 ] [ 0.25 0.75 0.5 ] [ 0 0.5 0.5 ] [ 0.25 0.5 0.75 ] [ 0 0.25 0.25 ] [ 0.25 0.25 0 ] [ 0 0 0 ] [ 0.25 0 0.25 ] [ 0.875 0.375 0.875 ] [ 0.625 0.125 0.125 ] [ 0.875 0.875 0.375 ] [ 0.625 0.625 0.625 ] [ 0.375 0.375 0.375 ] [ 0.125 0.125 0.625 ] [ 0.375 0.875 0.875 ] [ 0.125 0.625 0.125 ] [ 0.507833 0.507833 0.242167 ] [ 0.757833 0.992167 0.992167 ] [ 0.492167 0.257833 0.992167 ] [ 0.757833 0.257833 0.257833 ] [ 0.007833 0.242167 0.007833 ] [ 0.742167 0.242167 0.742167 ] [ 0.992167 0.992167 0.757833 ] [ 0.742167 0.507833 0.007833 ] [ 0.507833 0.007833 0.742167 ] [ 0.757833 0.492167 0.492167 ] [ 0.492167 0.757833 0.492167 ] [ 0.757833 0.757833 0.757833 ] [ 0.007833 0.742167 0.507833 ] [ 0.742167 0.742167 0.242167 ] [ 0.992167 0.492167 0.257833 ] [ 0.742167 0.007833 0.507833 ] [ 0.007833 0.507833 0.742167 ] [ 0.257833 0.992167 0.492167 ] [ 0.992167 0.257833 0.492167 ] [ 0.257833 0.257833 0.757833 ] [ 0.507833 0.242167 0.507833 ] [ 0.242167 0.242167 0.242167 ] [ 0.492167 0.992167 0.257833 ] [ 0.242167 0.507833 0.507833 ] [ 0.007833 0.007833 0.242167 ] [ 0.257833 0.492167 0.992167 ] [ 0.992167 0.757833 0.992167 ] [ 0.257833 0.757833 0.257833 ] [ 0.507833 0.742167 0.007833 ] [ 0.242167 0.742167 0.742167 ] [ 0.492167 0.492167 0.757833 ] [ 0.242167 0.007833 0.007833 ] ] } "species" { "source-value" [ "Tm" "Tm" "Tm" "Tm" "Tm" "Tm" "Tm" "Tm" "Tm" "Tm" "Tm" "Tm" "Tm" "Tm" "Tm" "Tm" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "short-name" { "source-value" [ "diamond" ] } "a" { "source-value" 11.7019983573 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 4.913664525000001 "source-unit" "eV" } }