{ "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" [ [ 0.333333 0.666667 0 ] [ 0.666667 0.333333 0.5 ] [ 0.666667 0.333333 0 ] [ 0.333333 0.666667 0.5 ] [ 0.280794 0 0.25 ] [ 0.280794 0.280794 0.75 ] [ 0 0.719206 0.75 ] [ 0 0.280794 0.25 ] [ 0.719206 0.719206 0.25 ] [ 0.719206 0 0.75 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.616057 0 0.25 ] [ 0.616057 0.616057 0.75 ] [ 0 0.383943 0.75 ] [ 0 0.616057 0.25 ] [ 0.383943 0.383943 0.25 ] [ 0.383943 0 0.75 ] ] } "species" { "source-value" [ "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" ] } "a" { "source-value" 8.01326283212 "source-unit" "angstrom" } "c" { "source-value" 5.47444454 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 7.303706483333333 "source-unit" "eV" } }