{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P-3m1" } "basis-atom-coordinates" { "source-value" [ [ 0.666667 0.333333 0.202418 ] [ 0.333333 0.666667 0.797582 ] [ 0 0 0.5 ] [ 0.299417 0.149708 0.714283 ] [ 0.850292 0.700583 0.714283 ] [ 0.700583 0.850292 0.285717 ] [ 0.850292 0.149708 0.714283 ] [ 0.149708 0.299417 0.285717 ] [ 0.149708 0.850292 0.285717 ] ] } "species" { "source-value" [ "Cs" "Cs" "Ir" "F" "F" "F" "F" "F" "F" ] } "a" { "source-value" 6.33972093436 "source-unit" "angstrom" } "c" { "source-value" 5.12955214 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 4.630122408888889 "source-unit" "eV" } }