{ "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 0 0 ] [ 0 0 0.5 ] [ 0.170466 0.829534 0.25 ] [ 0.340931 0.170466 0.75 ] [ 0.829534 0.659069 0.75 ] [ 0.170466 0.340931 0.25 ] [ 0.659069 0.829534 0.25 ] [ 0.829534 0.170466 0.75 ] [ 0.333333 0.666667 0.931253 ] [ 0.666667 0.333333 0.431253 ] [ 0.666667 0.333333 0.068747 ] [ 0.333333 0.666667 0.568747 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "W" "W" "W" "W" ] } "short-name" { "source-value" [ "hcp" ] } "a" { "source-value" 4.67955211816 "source-unit" "angstrom" } "c" { "source-value" 7.79476658 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 9.986041023333334 "source-unit" "eV" } }