{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-cubic-crystal" "instance-id" 1 "space-group" { "source-value" "F-43m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] [ 0.625367 0.125367 0.125367 ] [ 0.874633 0.874633 0.625367 ] [ 0.625367 0.874633 0.874633 ] [ 0.874633 0.125367 0.374633 ] [ 0.625367 0.625367 0.625367 ] [ 0.874633 0.374633 0.125367 ] [ 0.625367 0.374633 0.374633 ] [ 0.874633 0.625367 0.874633 ] [ 0.125367 0.125367 0.625367 ] [ 0.374633 0.874633 0.125367 ] [ 0.125367 0.874633 0.374633 ] [ 0.374633 0.125367 0.874633 ] [ 0.125367 0.625367 0.125367 ] [ 0.374633 0.374633 0.625367 ] [ 0.125367 0.374633 0.874633 ] [ 0.374633 0.625367 0.374633 ] [ 0.25 0.75 0.75 ] [ 0.25 0.25 0.25 ] [ 0.75 0.75 0.25 ] [ 0.75 0.25 0.75 ] ] } "species" { "source-value" [ "Zr" "Zr" "Zr" "Zr" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Sn" "Sn" "Sn" "Sn" ] } "a" { "source-value" 6.92752521845 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.318140448333334 "source-unit" "eV" } }