{ "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 0.410822 ] [ 0.666667 0.333333 0.910822 ] [ 0.666667 0.333333 0.589178 ] [ 0.333333 0.666667 0.089178 ] [ 0 0 0.75 ] [ 0 0 0.25 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.333333 0.666667 0.653683 ] [ 0.666667 0.333333 0.153683 ] [ 0.666667 0.333333 0.346317 ] [ 0.333333 0.666667 0.846317 ] [ 0.829613 0.170387 0.416974 ] [ 0.829613 0.659225 0.416974 ] [ 0.340775 0.170387 0.416974 ] [ 0.659225 0.829613 0.916974 ] [ 0.170387 0.340775 0.583026 ] [ 0.170387 0.829613 0.916974 ] [ 0.170387 0.340775 0.916974 ] [ 0.829613 0.170387 0.083026 ] [ 0.340775 0.170387 0.083026 ] [ 0.659225 0.829613 0.583026 ] [ 0.170387 0.829613 0.583026 ] [ 0.829613 0.659225 0.083026 ] [ 0.51554 0.031079 0.25 ] [ 0.48446 0.51554 0.75 ] [ 0.031079 0.51554 0.75 ] [ 0.968921 0.48446 0.25 ] [ 0.51554 0.48446 0.25 ] [ 0.48446 0.968921 0.75 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ni" "Ni" "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" 5.83360055979 "source-unit" "angstrom" } "c" { "source-value" 14.35386546 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.5482667936666665 "source-unit" "eV" } }