{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P-6m2" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.5 ] [ 0.333333 0.666667 0 ] [ 0 0 0.749514 ] [ 0 0 0.250486 ] [ 0 0 0.936314 ] [ 0 0 0.063686 ] [ 0.333333 0.666667 0.685644 ] [ 0.333333 0.666667 0.314356 ] [ 0.666667 0.333333 0.813377 ] [ 0.666667 0.333333 0.186623 ] [ 0.666667 0.333333 0.56394 ] [ 0.666667 0.333333 0.43606 ] ] } "species" { "source-value" [ "Nb" "Nb" "Nb" "Nb" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "a" { "source-value" 3.47030094679 "source-unit" "angstrom" } "c" { "source-value" 26.57218817 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.5204627275 "source-unit" "eV" } }