{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P-31m" } "basis-atom-coordinates" { "source-value" [ [ 0 0.376244 0.199035 ] [ 0.666667 0.333333 0.708238 ] [ 0 0.623756 0.800965 ] [ 0.376244 0 0.199035 ] [ 0.666667 0.333333 0.291762 ] [ 0.623756 0.623756 0.199035 ] [ 0.623756 0 0.800965 ] [ 0.333333 0.666667 0.708238 ] [ 0.333333 0.666667 0.291762 ] [ 0.376244 0.376244 0.800965 ] [ 0 0 0.775474 ] [ 0.5 0 0 ] [ 0.666667 0.333333 0.5 ] [ 0 0 0.224526 ] [ 0 0.5 0 ] [ 0.333333 0.666667 0.5 ] [ 0.5 0.5 0 ] [ 0 0 0.5 ] ] } "species" { "source-value" [ "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "I" ] } "a" { "source-value" 6.27901568016 "source-unit" "angstrom" } "c" { "source-value" 11.26716452 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 4.503858819444444 "source-unit" "eV" } }