{ "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" [ [ 0.806198 0.612396 0.75 ] [ 0.193802 0.806198 0.25 ] [ 0.612396 0.806198 0.25 ] [ 0.387604 0.193802 0.75 ] [ 0.806198 0.193802 0.75 ] [ 0.193802 0.387604 0.25 ] [ 0.333333 0.666667 0.48449 ] [ 0.666667 0.333333 0.98449 ] [ 0.666667 0.333333 0.51551 ] [ 0.333333 0.666667 0.01551 ] [ 0.162322 0.324644 0.57748 ] [ 0.675356 0.837678 0.57748 ] [ 0.162322 0.837678 0.57748 ] [ 0.837678 0.162322 0.07748 ] [ 0.837678 0.162322 0.42252 ] [ 0.837678 0.675356 0.07748 ] [ 0.324644 0.162322 0.07748 ] [ 0.675356 0.837678 0.92252 ] [ 0.162322 0.324644 0.92252 ] [ 0.837678 0.675356 0.42252 ] [ 0 0 0.25 ] [ 0 0 0.75 ] [ 0.562081 0.124162 0.25 ] [ 0.437919 0.562081 0.75 ] [ 0.124162 0.562081 0.75 ] [ 0.875838 0.437919 0.25 ] [ 0.562081 0.437919 0.25 ] [ 0.437919 0.875838 0.75 ] [ 0.162322 0.837678 0.92252 ] [ 0.324644 0.162322 0.42252 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] [ 0 0.5 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Ru" "Ru" "Ru" "Ru" "Ru" "Ru" "Ru" "Ru" ] } "short-name" { "source-value" [ "hcp" ] } "a" { "source-value" 8.89440579311 "source-unit" "angstrom" } "c" { "source-value" 9.55046273 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 5.909001802631579 "source-unit" "eV" } }