{ "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 0.407095 ] [ 0.666667 0.333333 0.907095 ] [ 0.666667 0.333333 0.592905 ] [ 0.333333 0.666667 0.092905 ] [ 0 0 0.75 ] [ 0 0 0.25 ] [ 0.333333 0.666667 0.655321 ] [ 0.666667 0.333333 0.155321 ] [ 0.666667 0.333333 0.344679 ] [ 0.333333 0.666667 0.844679 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.83449 0.16551 0.419916 ] [ 0.83449 0.668979 0.419916 ] [ 0.331021 0.16551 0.419916 ] [ 0.668979 0.83449 0.919916 ] [ 0.16551 0.331021 0.580084 ] [ 0.16551 0.83449 0.919916 ] [ 0.16551 0.331021 0.919916 ] [ 0.83449 0.16551 0.080084 ] [ 0.331021 0.16551 0.080084 ] [ 0.668979 0.83449 0.580084 ] [ 0.16551 0.83449 0.580084 ] [ 0.83449 0.668979 0.080084 ] [ 0.518304 0.036609 0.25 ] [ 0.481696 0.518304 0.75 ] [ 0.036609 0.518304 0.75 ] [ 0.963391 0.481696 0.25 ] [ 0.518304 0.481696 0.25 ] [ 0.481696 0.963391 0.75 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "short-name" { "source-value" [ "hcp" ] } "a" { "source-value" 5.93181367024 "source-unit" "angstrom" } "c" { "source-value" 14.51240869 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 4.281131457333333 "source-unit" "eV" } }