{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P6_322" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0 0.5 ] [ 0.666667 0.333333 0.25 ] [ 0.333333 0.666667 0.75 ] [ 0.333333 0.666667 0.25 ] [ 0.666667 0.333333 0.75 ] [ 0.02567 0.397546 0.337789 ] [ 0.371876 0.397546 0.162211 ] [ 0.628124 0.02567 0.837789 ] [ 0.97433 0.602454 0.837789 ] [ 0.602454 0.97433 0.162211 ] [ 0.397546 0.371876 0.837789 ] [ 0.397546 0.02567 0.662211 ] [ 0.02567 0.628124 0.162211 ] [ 0.602454 0.628124 0.337789 ] [ 0.97433 0.371876 0.662211 ] [ 0.628124 0.602454 0.662211 ] [ 0.371876 0.97433 0.337789 ] ] } "species" { "source-value" [ "Rb" "Rb" "Sn" "Sn" "I" "I" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 5.3858606083 "source-unit" "angstrom" } "c" { "source-value" 12.73177177 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 5.076168203888889 "source-unit" "eV" } }