{ "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" [ [ 0.137031 0.357692 0.754122 ] [ 0.77934 0.137031 0.254122 ] [ 0.357692 0.22066 0.254122 ] [ 0.642308 0.77934 0.754122 ] [ 0.22066 0.862969 0.754122 ] [ 0.862969 0.642308 0.254122 ] [ 0 0 0.713839 ] [ 0 0 0.213839 ] [ 0.333333 0.666667 0.330952 ] [ 0.666667 0.333333 0.830952 ] [ 0.333333 0.666667 0.928089 ] [ 0.666667 0.333333 0.428089 ] [ 0.843916 0.099988 0.72853 ] [ 0.743928 0.843916 0.22853 ] [ 0.099988 0.256072 0.22853 ] [ 0.900012 0.743928 0.72853 ] [ 0.256072 0.156084 0.72853 ] [ 0.156084 0.900012 0.22853 ] [ 0.488812 0.919524 0.506621 ] [ 0.569288 0.488812 0.006621 ] [ 0.919524 0.430712 0.006621 ] [ 0.080476 0.569288 0.506621 ] [ 0.430712 0.511188 0.506621 ] [ 0.511188 0.080476 0.006621 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Cu" "Cu" "Sn" "Sn" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "a" { "source-value" 10.6187882761 "source-unit" "angstrom" } "c" { "source-value" 6.36837373 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 5.4534111195833335 "source-unit" "eV" } }