{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P6_3cm" } "basis-atom-coordinates" { "source-value" [ [ 0.670118 0.670118 0.786163 ] [ 0 0.670118 0.286163 ] [ 0.670118 0 0.286163 ] [ 0.329882 0 0.786163 ] [ 0 0.329882 0.786163 ] [ 0.329882 0.329882 0.286163 ] [ 0.666667 0.333333 0.086572 ] [ 0.333333 0.666667 0.586572 ] [ 0.666667 0.333333 0.586572 ] [ 0.333333 0.666667 0.086572 ] [ 0 0 0.494271 ] [ 0 0 0.994271 ] [ 0.162834 0 0.243115 ] [ 0.162834 0.162834 0.743115 ] [ 0 0.837166 0.743115 ] [ 0 0.162834 0.243115 ] [ 0.837166 0.837166 0.243115 ] [ 0.837166 0 0.743115 ] [ 0.504099 0.171196 0.337126 ] [ 0.332903 0.504099 0.837126 ] [ 0.171196 0.667097 0.837126 ] [ 0.828804 0.332903 0.337126 ] [ 0.667097 0.495901 0.337126 ] [ 0.495901 0.828804 0.837126 ] [ 0.667097 0.171196 0.837126 ] [ 0.504099 0.332903 0.837126 ] [ 0.828804 0.495901 0.837126 ] [ 0.171196 0.504099 0.337126 ] [ 0.332903 0.828804 0.337126 ] [ 0.495901 0.667097 0.337126 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" ] } "a" { "source-value" 14.1368179473 "source-unit" "angstrom" } "c" { "source-value" 7.0095623 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 3.6829538056666666 "source-unit" "eV" } }