{ "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 0 0 ] [ 0 0 0.5 ] [ 0.829862 0.659723 0.25 ] [ 0.170138 0.829862 0.75 ] [ 0.659723 0.829862 0.75 ] [ 0.340277 0.170138 0.25 ] [ 0.829862 0.170138 0.25 ] [ 0.170138 0.340277 0.75 ] [ 0.333333 0.666667 0.061894 ] [ 0.666667 0.333333 0.561894 ] [ 0.666667 0.333333 0.938106 ] [ 0.333333 0.666667 0.438106 ] ] } "species" { "source-value" [ "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Cr" "Cr" "Cr" "Cr" ] } "short-name" { "source-value" [ "hcp" ] } "a" { "source-value" 4.2062812403 "source-unit" "angstrom" } "c" { "source-value" 6.8935655 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 5.930147691666666 "source-unit" "eV" } }