{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P312" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.333333 0.666667 0.5 ] [ 0.666667 0.333333 0.5 ] [ 0.002782 0.375745 0.700772 ] [ 0.624255 0.997218 0.299228 ] [ 0.002782 0.627037 0.299228 ] [ 0.372963 0.375745 0.299228 ] [ 0.624255 0.627037 0.700772 ] [ 0.372963 0.997218 0.700772 ] ] } "species" { "source-value" [ "Na" "Ni" "I" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 4.99559625036 "source-unit" "angstrom" } "c" { "source-value" 5.30655499199 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 4.541760461111111 "source-unit" "eV" } }