{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P321" } "basis-atom-coordinates" { "source-value" [ [ 0.666667 0.333333 0.340699 ] [ 0.333333 0.666667 0.659301 ] [ 0 0 0 ] [ 0.663281 0.91552 0.820334 ] [ 0.08448 0.747761 0.820334 ] [ 0.252239 0.336719 0.820334 ] [ 0.613686 0.613686 0.5 ] [ 0.386314 0 0.5 ] [ 0 0.386314 0.5 ] [ 0.91552 0.663281 0.179666 ] [ 0.336719 0.252239 0.179666 ] [ 0.747761 0.08448 0.179666 ] ] } "species" { "source-value" [ "Pd" "Pd" "Pd" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "a" { "source-value" 5.4091494789 "source-unit" "angstrom" } "c" { "source-value" 7.27088987 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 3.9233874383333336 "source-unit" "eV" } }