{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P6_3mc" } "basis-atom-coordinates" { "source-value" [ [ 0.925796 0.462898 0.035885 ] [ 0.462898 0.537102 0.535885 ] [ 0.125864 0.874136 0.257142 ] [ 0.251729 0.125864 0.757142 ] [ 0.874136 0.748271 0.757142 ] [ 0.125864 0.251729 0.257142 ] [ 0.748271 0.874136 0.257142 ] [ 0.874136 0.125864 0.757142 ] [ 0.537102 0.074204 0.035885 ] [ 0.462898 0.925796 0.535885 ] [ 0.074204 0.537102 0.535885 ] [ 0.537102 0.462898 0.035885 ] [ 0.666667 0.333333 0.538432 ] [ 0.333333 0.666667 0.038432 ] [ 0.181796 0.818204 0.787163 ] [ 0.363591 0.181796 0.287163 ] [ 0.818204 0.636409 0.287163 ] [ 0.181796 0.363591 0.787163 ] [ 0.636409 0.818204 0.787163 ] [ 0.818204 0.181796 0.287163 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ru" "Ru" "Ru" "Ru" "Ru" "Ru" ] } "a" { "source-value" 9.62669612741 "source-unit" "angstrom" } "c" { "source-value" 6.17445556 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 7.2140412165 "source-unit" "eV" } }