{ "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 0.25 ] [ 0.333333 0.666667 0.75 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.166569 0.833431 0.25 ] [ 0.833431 0.666862 0.75 ] [ 0.166569 0.333138 0.25 ] [ 0.833431 0.166569 0.75 ] [ 0.333138 0.166569 0.75 ] [ 0.666862 0.833431 0.25 ] ] } "species" { "source-value" [ "Ba" "Ba" "V" "V" "Se" "Se" "Se" "Se" "Se" "Se" ] } "short-name" { "source-value" [ "hcp" ] } "a" { "source-value" 7.02663185335 "source-unit" "angstrom" } "c" { "source-value" 6.02202333 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 5.494512072 "source-unit" "eV" } }