{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-cubic-crystal" "instance-id" 1 "space-group" { "source-value" "Im-3m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.292133 ] [ 0.707867 0 0 ] [ 0 0 0.707867 ] [ 0 0.707867 0 ] [ 0.292133 0 0 ] [ 0 0.292133 0 ] [ 0.5 0.5 0.792133 ] [ 0.207867 0.5 0.5 ] [ 0.5 0.5 0.207867 ] [ 0.5 0.207867 0.5 ] [ 0.792133 0.5 0.5 ] [ 0.5 0.792133 0.5 ] [ 0.75 0.75 0.25 ] [ 0.75 0.25 0.75 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.75 ] [ 0.25 0.25 0.75 ] [ 0.25 0.75 0.25 ] [ 0.75 0.25 0.25 ] [ 0.25 0.25 0.25 ] [ 0.165913 0.165913 0.5 ] [ 0 0.665913 0.334087 ] [ 0 0.334087 0.665913 ] [ 0.5 0.165913 0.165913 ] [ 0.334087 0 0.665913 ] [ 0.334087 0.665913 0 ] [ 0.165913 0.5 0.165913 ] [ 0.5 0.834087 0.834087 ] [ 0.665913 0 0.334087 ] [ 0.834087 0.834087 0.5 ] [ 0.834087 0.5 0.834087 ] [ 0.665913 0.334087 0 ] [ 0.665913 0.665913 0 ] [ 0.5 0.165913 0.834087 ] [ 0.5 0.834087 0.165913 ] [ 0 0.665913 0.665913 ] [ 0.834087 0.5 0.165913 ] [ 0.834087 0.165913 0.5 ] [ 0.665913 0 0.665913 ] [ 0 0.334087 0.334087 ] [ 0.165913 0.5 0.834087 ] [ 0.334087 0.334087 0 ] [ 0.334087 0 0.334087 ] [ 0.165913 0.834087 0.5 ] ] } "species" { "source-value" [ "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" ] } "short-name" { "source-value" [ "bcc" ] } "a" { "source-value" 8.92555387054 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.151622983181818 "source-unit" "eV" } }