{ "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" [ [ 0.666667 0.333333 0.5 ] [ 0.666667 0.333333 0 ] [ 0.333333 0.666667 0 ] [ 0.333333 0.666667 0.5 ] [ 0.664236 0 0.75 ] [ 0.664236 0.664236 0.25 ] [ 0 0.335764 0.25 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0 0.664236 0.75 ] [ 0.335764 0.335764 0.75 ] [ 0.335764 0 0.25 ] [ 0 0.670255 0.12024 ] [ 0 0.670255 0.37976 ] [ 0 0.329745 0.62024 ] [ 0 0.329745 0.87976 ] [ 0.329745 0.329745 0.37976 ] [ 0.329745 0.329745 0.12024 ] [ 0.329745 0 0.87976 ] [ 0.329745 0 0.62024 ] [ 0.670255 0.670255 0.62024 ] [ 0.670255 0.670255 0.87976 ] [ 0.670255 0 0.37976 ] [ 0.670255 0 0.12024 ] ] } "species" { "source-value" [ "Mg" "Mg" "Mg" "Mg" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" ] } "a" { "source-value" 5.24728052238 "source-unit" "angstrom" } "c" { "source-value" 10.46222044 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 9.580302090833333 "source-unit" "eV" } }