{ "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" [ [ 0.333333 0.666667 0.172124 ] [ 0 0 0.5 ] [ 0.666667 0.333333 0.827876 ] [ 0 0 0 ] [ 0.666667 0.333333 0.25289 ] [ 0.333333 0.666667 0.74711 ] [ 0.373895 0.186947 0.205391 ] [ 0.813053 0.186947 0.205391 ] [ 0.186947 0.813053 0.794609 ] [ 0.626105 0.813053 0.794609 ] [ 0.186947 0.373895 0.794609 ] [ 0.813053 0.626105 0.205391 ] [ 0.666667 0.333333 0.473868 ] [ 0.333333 0.666667 0.526132 ] ] } "species" { "source-value" [ "K" "K" "K" "Na" "P" "P" "O" "O" "O" "O" "O" "O" "F" "F" ] } "a" { "source-value" 5.84108137 "source-unit" "angstrom" } "c" { "source-value" 7.5062929 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 5.903099613571428 "source-unit" "eV" } }