{ "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 0.392947 ] [ 0.666667 0.333333 0.892947 ] [ 0.666667 0.333333 0.607053 ] [ 0.333333 0.666667 0.107053 ] [ 0.666667 0.333333 0.25 ] [ 0.333333 0.666667 0.75 ] [ 0 0 0.435913 ] [ 0 0 0.935913 ] [ 0 0 0.564087 ] [ 0 0 0.064087 ] [ 0.666667 0.333333 0.75 ] [ 0.333333 0.666667 0.25 ] ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "S" "S" "S" "S" "S" "S" ] } "short-name" { "source-value" [ "hcp" ] } "a" { "source-value" 3.79656992088 "source-unit" "angstrom" } "c" { "source-value" 16.44066154 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 4.311335486666667 "source-unit" "eV" } }