{ "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 0.406642 ] [ 0 0 0.25 ] [ 0.666667 0.333333 0.593358 ] [ 0.333333 0.666667 0.093358 ] [ 0.666667 0.333333 0.906642 ] [ 0 0 0.75 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.333333 0.666667 0.629025 ] [ 0.666667 0.333333 0.370975 ] [ 0.666667 0.333333 0.129025 ] [ 0.333333 0.666667 0.870975 ] [ 0.349934 0.174967 0.407634 ] [ 0.825033 0.174967 0.092366 ] [ 0.174967 0.349934 0.592366 ] [ 0.174967 0.825033 0.907634 ] [ 0.650066 0.825033 0.907634 ] [ 0.650066 0.825033 0.592366 ] [ 0.349934 0.174967 0.092366 ] [ 0.174967 0.825033 0.592366 ] [ 0.825033 0.174967 0.407634 ] [ 0.174967 0.349934 0.907634 ] [ 0.825033 0.650066 0.092366 ] [ 0.825033 0.650066 0.407634 ] [ 0.666667 0.333333 0.25 ] [ 0.333333 0.666667 0.75 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "Sc" "Sc" "Si" "Si" "Si" "Si" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "short-name" { "source-value" [ "hcp" ] } "a" { "source-value" 5.67920108441 "source-unit" "angstrom" } "c" { "source-value" 13.83618673 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.914481072307693 "source-unit" "eV" } }