{ "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" [ [ 0.666667 0.333333 0.370978 ] [ 0.333333 0.666667 0.870978 ] [ 0.666667 0.333333 0.129022 ] [ 0.333333 0.666667 0.629022 ] [ 0.833607 0.166393 0.75 ] [ 0.166393 0.332785 0.25 ] [ 0.667215 0.833607 0.25 ] [ 0.332785 0.166393 0.75 ] [ 0.833607 0.667215 0.75 ] [ 0.166393 0.833607 0.25 ] [ 0 0 0.5 ] [ 0 0 0 ] ] } "species" { "source-value" [ "Pr" "Pr" "Pr" "Pr" "B" "B" "B" "B" "B" "B" "Cl" "Cl" ] } "short-name" { "source-value" [ "hcp" ] } "a" { "source-value" 3.58431562989 "source-unit" "angstrom" } "c" { "source-value" 17.80676609 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 5.799918573333334 "source-unit" "eV" } }