{ "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 0 0 ] [ 0 0 0.5 ] [ 0 0 0.25 ] [ 0 0 0.75 ] [ 0.333333 0.666667 0.408862 ] [ 0.666667 0.333333 0.908862 ] [ 0.666667 0.333333 0.591138 ] [ 0.333333 0.666667 0.091138 ] [ 0.333333 0.666667 0.657496 ] [ 0.666667 0.333333 0.157496 ] [ 0.666667 0.333333 0.342504 ] [ 0.333333 0.666667 0.842504 ] [ 0.18633 0.81367 0.898273 ] [ 0.18633 0.37266 0.898273 ] [ 0.62734 0.81367 0.898273 ] [ 0.37266 0.18633 0.398273 ] [ 0.81367 0.62734 0.101727 ] [ 0.81367 0.18633 0.398273 ] [ 0.81367 0.62734 0.398273 ] [ 0.18633 0.81367 0.601727 ] [ 0.62734 0.81367 0.601727 ] [ 0.37266 0.18633 0.101727 ] [ 0.81367 0.18633 0.101727 ] [ 0.18633 0.37266 0.601727 ] [ 0.533666 0.067331 0.25 ] [ 0.466334 0.533666 0.75 ] [ 0.067331 0.533666 0.75 ] [ 0.932669 0.466334 0.25 ] [ 0.533666 0.466334 0.25 ] [ 0.466334 0.932669 0.75 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "I" "I" "I" "I" "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" 6.29357493125 "source-unit" "angstrom" } "c" { "source-value" 15.71482239 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 4.478610489 "source-unit" "eV" } }