{ "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 ] [ 0.6367 0.59707 0.658891 ] [ 0.6367 0.03963 0.841109 ] [ 0.96037 0.59707 0.841109 ] [ 0.40293 0.3633 0.841109 ] [ 0.03963 0.40293 0.341109 ] [ 0.40293 0.03963 0.658891 ] [ 0.3633 0.96037 0.341109 ] [ 0.3633 0.40293 0.158891 ] [ 0.96037 0.3633 0.658891 ] [ 0.59707 0.96037 0.158891 ] [ 0.03963 0.6367 0.158891 ] [ 0.59707 0.6367 0.341109 ] ] } "species" { "source-value" [ "Rb" "Rb" "Pb" "Pb" "I" "I" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 5.55962629156 "source-unit" "angstrom" } "c" { "source-value" 12.43273899 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 4.777062738333333 "source-unit" "eV" } }