{ "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" } "basis-atom-coordinates" { "source-value" [ [ 0.644834 0.864372 0.963986 ] [ 0.780461 0.644834 0.463986 ] [ 0.864372 0.219539 0.463986 ] [ 0.135628 0.780461 0.963986 ] [ 0.219539 0.355166 0.963986 ] [ 0.355166 0.135628 0.463986 ] [ 0 0 0.508746 ] [ 0 0 0.008746 ] [ 0.666667 0.333333 0.886439 ] [ 0.333333 0.666667 0.386439 ] [ 0.486952 0.572296 0.212974 ] [ 0.914656 0.486952 0.712974 ] [ 0.572296 0.085344 0.712974 ] [ 0.427704 0.914656 0.212974 ] [ 0.333333 0.666667 0.78291 ] [ 0.666667 0.333333 0.28291 ] [ 0.085344 0.513048 0.212974 ] [ 0.513048 0.427704 0.712974 ] [ 0.256228 0.099825 0.996008 ] [ 0.156403 0.256228 0.496008 ] [ 0.099825 0.843597 0.496008 ] [ 0.900175 0.156403 0.996008 ] [ 0.843597 0.743772 0.996008 ] [ 0.743772 0.900175 0.496008 ] ] } "species" { "source-value" [ "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Cu" "Cu" "Sn" "Sn" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "a" { "source-value" 10.7083019185 "source-unit" "angstrom" } "c" { "source-value" 6.36492702 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 5.2244514395833335 "source-unit" "eV" } }