{ "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" [ [ 0.333333 0.666667 0.439626 ] [ 0.666667 0.333333 0.939626 ] [ 0.666667 0.333333 0.560374 ] [ 0.333333 0.666667 0.060374 ] [ 0.170011 0.340023 0.75 ] [ 0.170011 0.829989 0.75 ] [ 0.340023 0.170011 0.25 ] [ 0.829989 0.659977 0.25 ] [ 0 0 0 ] [ 0.659977 0.829989 0.75 ] [ 0.829989 0.170011 0.25 ] [ 0 0 0.5 ] ] } "species" { "source-value" [ "Ta" "Ta" "Ta" "Ta" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" ] } "short-name" { "source-value" [ "hcp" ] } "a" { "source-value" 4.89904569947 "source-unit" "angstrom" } "c" { "source-value" 8.05153775 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 10.489021911666667 "source-unit" "eV" } }