{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P6_3/mcm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0 0.5 ] [ 0.710083 0 0.75 ] [ 0 0.289917 0.25 ] [ 0.289917 0 0.25 ] [ 0 0.710083 0.75 ] [ 0.710083 0.710083 0.25 ] [ 0.289917 0.289917 0.75 ] ] } "species" { "source-value" [ "Nb" "Nb" "I" "I" "I" "I" "I" "I" ] } "a" { "source-value" 7.85594022554 "source-unit" "angstrom" } "c" { "source-value" 6.7834044 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 4.12451002125 "source-unit" "eV" } }