{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P-3m1" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.5 ] [ 0.666667 0.333333 0.170547 ] [ 0.333333 0.666667 0.829453 ] [ 0 0 0 ] [ 0.666667 0.333333 0.725423 ] [ 0.333333 0.666667 0.274577 ] [ 0.818356 0.181644 0.803838 ] [ 0.818356 0.636712 0.803838 ] [ 0.363288 0.181644 0.803838 ] [ 0.181644 0.363288 0.196162 ] [ 0.181644 0.818356 0.196162 ] [ 0.636712 0.818356 0.196162 ] [ 0.333333 0.666667 0.490387 ] [ 0.666667 0.333333 0.509613 ] ] } "species" { "source-value" [ "K" "K" "K" "Na" "Se" "Se" "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 5.98156373 "source-unit" "angstrom" } "c" { "source-value" 7.66845555 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 5.056680561428571 "source-unit" "eV" } }