{ "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" [ [ 0.666667 0.333333 0.75 ] [ 0.333333 0.666667 0.25 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.666667 0.333333 0.383075 ] [ 0.333333 0.666667 0.883075 ] [ 0.333333 0.666667 0.616925 ] [ 0.666667 0.333333 0.116925 ] [ 0.643895 0.821948 0.75 ] [ 0.821948 0.643895 0.25 ] [ 0.821948 0.178052 0.25 ] [ 0.178052 0.821948 0.75 ] [ 0.178052 0.356105 0.75 ] [ 0.356105 0.178052 0.25 ] [ 0.5 0.5 0.5 ] [ 0 0.5 0 ] [ 0.5 0.5 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0 0 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Ru" "Ru" "Ru" "Ru" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "short-name" { "source-value" [ "hcp" ] } "a" { "source-value" 5.81647245967 "source-unit" "angstrom" } "c" { "source-value" 9.62493054 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.9727466605 "source-unit" "eV" } }