{ "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/mmc" } "basis-atom-coordinates" { "source-value" [ [ 0.666667 0.333333 0.43748 ] [ 0.333333 0.666667 0.93748 ] [ 0.333333 0.666667 0.56252 ] [ 0.666667 0.333333 0.06252 ] [ 0.336428 0.168214 0.75 ] [ 0.168214 0.831786 0.25 ] [ 0.168214 0.336428 0.25 ] [ 0.831786 0.663572 0.75 ] [ 0 0 0 ] [ 0.663572 0.831786 0.25 ] [ 0.831786 0.168214 0.75 ] [ 0 0 0.5 ] ] } "species" { "source-value" [ "Nb" "Nb" "Nb" "Nb" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" ] } "short-name" { "source-value" [ "hcp" ] } "a" { "source-value" 4.81649258983 "source-unit" "angstrom" } "c" { "source-value" 7.85330204 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 9.135008514166666 "source-unit" "eV" } }