{ "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 0.458398 ] [ 0.666667 0.333333 0.958398 ] [ 0.666667 0.333333 0.541602 ] [ 0.333333 0.666667 0.041602 ] [ 0.333333 0.666667 0.25 ] [ 0.666667 0.333333 0.75 ] [ 0.83383 0.16617 0.373288 ] [ 0.16617 0.83383 0.873288 ] [ 0.83383 0.667661 0.126712 ] [ 0.16617 0.332339 0.626712 ] [ 0 0 0.5 ] [ 0.667661 0.83383 0.873288 ] [ 0.83383 0.667661 0.373288 ] [ 0.16617 0.332339 0.873288 ] [ 0.332339 0.16617 0.126712 ] [ 0.666667 0.333333 0.25 ] [ 0.83383 0.16617 0.126712 ] [ 0 0 0.75 ] [ 0.667661 0.83383 0.626712 ] [ 0.332339 0.16617 0.373288 ] [ 0 0 0 ] [ 0.16617 0.83383 0.626712 ] [ 0.333333 0.666667 0.75 ] [ 0 0 0.25 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" ] } "short-name" { "source-value" [ "hcp" ] } "a" { "source-value" 4.93653177209 "source-unit" "angstrom" } "c" { "source-value" 16.52026708 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.209004085416667 "source-unit" "eV" } }