{ "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" [ [ 0.123764 0.356683 0.730943 ] [ 0.767081 0.123764 0.230943 ] [ 0.232919 0.876236 0.730943 ] [ 0.356683 0.232919 0.230943 ] [ 0.643317 0.767081 0.730943 ] [ 0.876236 0.643317 0.230943 ] [ 0 0 0.215658 ] [ 0 0 0.715658 ] [ 0.666667 0.333333 0.816361 ] [ 0.333333 0.666667 0.316361 ] [ 0.475525 0.886157 0.458503 ] [ 0.113843 0.589369 0.458503 ] [ 0.666667 0.333333 0.451937 ] [ 0.085819 0.250165 0.221659 ] [ 0.410631 0.524474 0.458503 ] [ 0.333333 0.666667 0.951937 ] [ 0.886157 0.410631 0.958503 ] [ 0.914181 0.749835 0.721659 ] [ 0.164347 0.914181 0.221659 ] [ 0.589369 0.475525 0.958503 ] [ 0.749835 0.835653 0.221659 ] [ 0.524474 0.113843 0.958503 ] [ 0.250165 0.164347 0.721659 ] [ 0.835653 0.085819 0.721659 ] ] } "species" { "source-value" [ "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Cu" "Cu" "Si" "Si" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "a" { "source-value" 10.2819998803 "source-unit" "angstrom" } "c" { "source-value" 5.79820297 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 5.9519330904166665 "source-unit" "eV" } }