{ "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 0.761638 ] [ 0 0 0.238362 ] [ 0.761638 0 0 ] [ 0 0.761638 0 ] [ 0 0.238362 0 ] [ 0.238362 0 0 ] [ 0.5 0.5 0.261638 ] [ 0.5 0.5 0.738362 ] [ 0.261638 0.5 0.5 ] [ 0.5 0.261638 0.5 ] [ 0.5 0.738362 0.5 ] [ 0.738362 0.5 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0 0.754585 0.245415 ] [ 0 0 0.5 ] [ 0.5 0 0.5 ] [ 0 0.5 0.5 ] [ 0 0.754585 0.754585 ] [ 0.754585 0 0.754585 ] [ 0 0.245415 0.245415 ] [ 0.754585 0 0.245415 ] [ 0.245415 0 0.245415 ] [ 0.245415 0.245415 0 ] [ 0.754585 0.245415 0 ] [ 0.245415 0 0.754585 ] [ 0 0.245415 0.754585 ] [ 0.754585 0.754585 0 ] [ 0.245415 0.754585 0 ] [ 0.5 0.254585 0.745415 ] [ 0.5 0.5 0 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0.5 0.254585 0.254585 ] [ 0.254585 0.5 0.254585 ] [ 0.5 0.745415 0.745415 ] [ 0.254585 0.5 0.745415 ] [ 0.745415 0.5 0.745415 ] [ 0.745415 0.745415 0.5 ] [ 0.254585 0.745415 0.5 ] [ 0.745415 0.5 0.254585 ] [ 0.5 0.745415 0.254585 ] [ 0.254585 0.254585 0.5 ] [ 0.745415 0.254585 0.5 ] ] } "species" { "source-value" [ "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Co" "Co" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "short-name" { "source-value" [ "bcc" ] } "a" { "source-value" 10.4067771593 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 5.589030455454545 "source-unit" "eV" } }