{ "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 0 0.5 ] [ 0 0 0 ] [ 0.666667 0.333333 0.66108 ] [ 0.333333 0.666667 0.818502 ] [ 0.333333 0.666667 0.33892 ] [ 0.666667 0.333333 0.181498 ] [ 0.5 0 0 ] [ 0 0.5 0 ] [ 0.164916 0.835084 0.667609 ] [ 0.164916 0.329832 0.667609 ] [ 0.670168 0.835084 0.667609 ] [ 0.835084 0.164916 0.332391 ] [ 0.835084 0.670168 0.332391 ] [ 0.329832 0.164916 0.332391 ] [ 0.5 0.5 0 ] ] } "species" { "source-value" [ "Mg" "Nb" "Nb" "Nb" "Nb" "Nb" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 5.62377361 "source-unit" "angstrom" } "c" { "source-value" 6.8529744 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 7.838420878 "source-unit" "eV" } }