{ "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 0.5 ] [ 0.666667 0.333333 0 ] [ 0.666667 0.333333 0.5 ] [ 0.333333 0.666667 0 ] [ 0.674978 0.674978 0.25 ] [ 0.674978 0 0.75 ] [ 0 0.674978 0.75 ] [ 0 0.325022 0.25 ] [ 0.325022 0 0.25 ] [ 0.325022 0.325022 0.75 ] [ 0.339343 0 0.622524 ] [ 0.660657 0.660657 0.622524 ] [ 0 0.339343 0.622524 ] [ 0 0.660657 0.122524 ] [ 0.660657 0.660657 0.877476 ] [ 0.660657 0 0.122524 ] [ 0.339343 0.339343 0.122524 ] [ 0.660657 0 0.377476 ] [ 0 0.660657 0.377476 ] [ 0 0.339343 0.877476 ] [ 0.339343 0.339343 0.377476 ] [ 0.339343 0 0.877476 ] ] } "species" { "source-value" [ "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" ] } "a" { "source-value" 5.2605705 "source-unit" "angstrom" } "c" { "source-value" 10.47460612 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 10.148734141363636 "source-unit" "eV" } }