{ "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 0.25 ] [ 0.333333 0.666667 0.75 ] [ 0.666667 0.333333 0.468347 ] [ 0.333333 0.666667 0.968347 ] [ 0.666667 0.333333 0.031653 ] [ 0.333333 0.666667 0.531653 ] [ 0.333333 0.666667 0.25 ] [ 0.666667 0.333333 0.75 ] [ 0.168153 0.831847 0.377728 ] [ 0.168153 0.336305 0.377728 ] [ 0 0 0.75 ] [ 0 0 0.25 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.168153 0.336305 0.122272 ] [ 0.831847 0.168153 0.622272 ] [ 0.336305 0.168153 0.622272 ] [ 0.663695 0.831847 0.122272 ] [ 0.168153 0.831847 0.122272 ] [ 0.831847 0.663695 0.877728 ] [ 0.831847 0.168153 0.877728 ] [ 0.831847 0.663695 0.622272 ] [ 0.336305 0.168153 0.877728 ] [ 0.663695 0.831847 0.377728 ] ] } "species" { "source-value" [ "Nd" "Nd" "Mg" "Mg" "Mg" "Mg" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" ] } "short-name" { "source-value" [ "hcp" ] } "a" { "source-value" 5.05014563195 "source-unit" "angstrom" } "c" { "source-value" 16.17126802 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 3.9010632579166664 "source-unit" "eV" } }