{ "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" [ [ 0.333333 0.666667 0.907852 ] [ 0.666667 0.333333 0.407852 ] [ 0.333333 0.666667 0.592148 ] [ 0.666667 0.333333 0.092148 ] [ 0 0 0.75 ] [ 0 0 0.25 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.666667 0.333333 0.663255 ] [ 0.333333 0.666667 0.163255 ] [ 0.333333 0.666667 0.336745 ] [ 0.666667 0.333333 0.836745 ] [ 0.174228 0.348455 0.413807 ] [ 0.348455 0.174228 0.913807 ] [ 0.651545 0.825772 0.413807 ] [ 0.825772 0.174228 0.913807 ] [ 0.348455 0.174228 0.586193 ] [ 0.651545 0.825772 0.086193 ] [ 0.509773 0.019546 0.75 ] [ 0.509773 0.490227 0.75 ] [ 0.019546 0.509773 0.25 ] [ 0.825772 0.174228 0.586193 ] [ 0.825772 0.651545 0.586193 ] [ 0.825772 0.651545 0.913807 ] [ 0.174228 0.348455 0.086193 ] [ 0.174228 0.825772 0.413807 ] [ 0.174228 0.825772 0.086193 ] [ 0.490227 0.980454 0.25 ] [ 0.490227 0.509773 0.25 ] [ 0.980454 0.490227 0.75 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Lu" "Lu" "Ru" "Ru" "Ru" "Ru" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "short-name" { "source-value" [ "hcp" ] } "a" { "source-value" 5.92038683006 "source-unit" "angstrom" } "c" { "source-value" 14.46618244 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 7.136890512 "source-unit" "eV" } }