{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-cubic-crystal" "instance-id" 1 "space-group" { "source-value" "Fd-3m" } "basis-atom-coordinates" { "source-value" [ [ 0.324854 0.125 0.125 ] [ 0.125 0.125 0.324854 ] [ 0.074854 0.375 0.375 ] [ 0 0.25 0.75 ] [ 0.875 0.175146 0.375 ] [ 0.875 0.375 0.175146 ] [ 0.675146 0.375 0.375 ] [ 0.125 0.324854 0.125 ] [ 0 0.5 0 ] [ 0.125 0.925146 0.125 ] [ 0.125 0.125 0.925146 ] [ 0.875 0.574854 0.375 ] [ 0.25 0.75 0 ] [ 0.875 0.375 0.574854 ] [ 0.25 0 0.75 ] [ 0.925146 0.125 0.125 ] [ 0.324854 0.625 0.625 ] [ 0.125 0.625 0.824854 ] [ 0.074854 0.875 0.875 ] [ 0 0.75 0.25 ] [ 0.875 0.675146 0.875 ] [ 0.875 0.875 0.675146 ] [ 0.675146 0.875 0.875 ] [ 0.125 0.824854 0.625 ] [ 0 0 0.5 ] [ 0.125 0.425146 0.625 ] [ 0.125 0.625 0.425146 ] [ 0.875 0.074854 0.875 ] [ 0.25 0.25 0.5 ] [ 0.875 0.875 0.074854 ] [ 0.25 0.5 0.25 ] [ 0.925146 0.625 0.625 ] [ 0.824854 0.125 0.625 ] [ 0.625 0.125 0.824854 ] [ 0.574854 0.375 0.875 ] [ 0.5 0.25 0.25 ] [ 0.375 0.175146 0.875 ] [ 0.375 0.375 0.675146 ] [ 0.175146 0.375 0.875 ] [ 0.625 0.324854 0.625 ] [ 0.5 0.5 0.5 ] [ 0.625 0.925146 0.625 ] [ 0.625 0.125 0.425146 ] [ 0.375 0.574854 0.875 ] [ 0.75 0.75 0.5 ] [ 0.375 0.375 0.074854 ] [ 0.75 0 0.25 ] [ 0.425146 0.125 0.625 ] [ 0.824854 0.625 0.125 ] [ 0.625 0.625 0.324854 ] [ 0.574854 0.875 0.375 ] [ 0.5 0.75 0.75 ] [ 0.375 0.675146 0.375 ] [ 0.375 0.875 0.175146 ] [ 0.175146 0.875 0.375 ] [ 0.625 0.824854 0.125 ] [ 0.5 0 0 ] [ 0.625 0.425146 0.125 ] [ 0.625 0.625 0.925146 ] [ 0.375 0.074854 0.375 ] [ 0.75 0.25 0 ] [ 0.375 0.875 0.574854 ] [ 0.75 0.5 0.75 ] [ 0.425146 0.625 0.125 ] [ 0.625 0.625 0.625 ] [ 0.375 0.875 0.875 ] [ 0.625 0.125 0.125 ] [ 0.375 0.375 0.375 ] [ 0.125 0.625 0.125 ] [ 0.875 0.875 0.375 ] [ 0.125 0.125 0.625 ] [ 0.875 0.375 0.875 ] [ 0.275745 0.974255 0.974255 ] [ 0.974255 0.974255 0.275745 ] [ 0.974255 0.275745 0.974255 ] [ 0.025745 0.224255 0.525745 ] [ 0.724255 0.525745 0.525745 ] [ 0.724255 0.224255 0.224255 ] [ 0.025745 0.525745 0.224255 ] [ 0.275745 0.275745 0.275745 ] [ 0.275745 0.474255 0.474255 ] [ 0.974255 0.474255 0.775745 ] [ 0.974255 0.775745 0.474255 ] [ 0.025745 0.724255 0.025745 ] [ 0.724255 0.025745 0.025745 ] [ 0.724255 0.724255 0.724255 ] [ 0.025745 0.025745 0.724255 ] [ 0.275745 0.775745 0.775745 ] [ 0.775745 0.974255 0.474255 ] [ 0.474255 0.974255 0.775745 ] [ 0.474255 0.275745 0.474255 ] [ 0.525745 0.224255 0.025745 ] [ 0.224255 0.525745 0.025745 ] [ 0.224255 0.224255 0.724255 ] [ 0.525745 0.525745 0.724255 ] [ 0.775745 0.275745 0.775745 ] [ 0.775745 0.474255 0.974255 ] [ 0.474255 0.474255 0.275745 ] [ 0.474255 0.775745 0.974255 ] [ 0.525745 0.724255 0.525745 ] [ 0.224255 0.025745 0.525745 ] [ 0.224255 0.724255 0.224255 ] [ 0.525745 0.025745 0.224255 ] [ 0.775745 0.775745 0.275745 ] ] } "species" { "source-value" [ "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "B" "B" "B" "B" "B" "B" "B" "B" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" ] } "short-name" { "source-value" [ "diamond" ] } "a" { "source-value" 12.3340512926 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 4.026805878461539 "source-unit" "eV" } }