{ "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 0.843955 ] [ 0 0 0.59427 ] [ 0.666667 0.333333 0.156045 ] [ 0 0 0.40573 ] [ 0 0 0.90573 ] [ 0 0 0.09427 ] [ 0.333333 0.666667 0.656045 ] [ 0.666667 0.333333 0.343955 ] [ 0.835615 0.671229 0.75 ] [ 0.164385 0.328771 0.25 ] [ 0.164385 0.835615 0.25 ] [ 0.666667 0.333333 0.874587 ] [ 0.5 0 0.5 ] [ 0.666667 0.333333 0.625413 ] [ 0.328771 0.164385 0.75 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0.5 ] [ 0.835615 0.164385 0.75 ] [ 0.333333 0.666667 0.374587 ] [ 0.671229 0.835615 0.25 ] [ 0 0.5 0 ] [ 0.5 0.5 0 ] [ 0.333333 0.666667 0.125413 ] [ 0.5 0 0 ] ] } "species" { "source-value" [ "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" ] } "short-name" { "source-value" [ "hcp" ] } "a" { "source-value" 5.04570448104 "source-unit" "angstrom" } "c" { "source-value" 16.1761086 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 3.0280901258333333 "source-unit" "eV" } }