{ "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 0.537457 ] [ 0.333333 0.666667 0.037457 ] [ 0.666667 0.333333 0.962543 ] [ 0.666667 0.333333 0.25 ] [ 0.333333 0.666667 0.75 ] [ 0.333333 0.666667 0.462543 ] [ 0 0 0.411187 ] [ 0 0 0.911187 ] [ 0 0 0.088813 ] [ 0.333333 0.666667 0.25 ] [ 0.666667 0.333333 0.75 ] [ 0 0 0.588813 ] ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Se" "Se" "Se" "Se" "Se" "Se" ] } "short-name" { "source-value" [ "hcp" ] } "a" { "source-value" 3.93619661108 "source-unit" "angstrom" } "c" { "source-value" 17.56672603 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 3.6901410924999998 "source-unit" "eV" } }