{ "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 0.055555 ] [ 0.666667 0.333333 0.555555 ] [ 0.666667 0.333333 0.944445 ] [ 0.333333 0.666667 0.444445 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.834442 0.668883 0.25 ] [ 0.165558 0.834442 0.75 ] [ 0.668883 0.834442 0.75 ] [ 0.331117 0.165558 0.25 ] [ 0.834442 0.165558 0.25 ] [ 0.165558 0.331117 0.75 ] ] } "species" { "source-value" [ "U" "U" "U" "U" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" ] } "short-name" { "source-value" [ "hcp" ] } "a" { "source-value" 4.91564214037 "source-unit" "angstrom" } "c" { "source-value" 8.23506702 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 7.863538766666667 "source-unit" "eV" } }