{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-cubic-crystal" "instance-id" 1 "space-group" { "source-value" "F-43m" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0 ] [ 0 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0 ] [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] [ 0.108797 0.108797 0.891203 ] [ 0.891203 0.891203 0.891203 ] [ 0.108797 0.891203 0.108797 ] [ 0.891203 0.108797 0.108797 ] [ 0.108797 0.608797 0.391203 ] [ 0.891203 0.391203 0.391203 ] [ 0.108797 0.391203 0.608797 ] [ 0.891203 0.608797 0.608797 ] [ 0.608797 0.108797 0.391203 ] [ 0.391203 0.891203 0.391203 ] [ 0.608797 0.891203 0.608797 ] [ 0.391203 0.108797 0.608797 ] [ 0.608797 0.608797 0.891203 ] [ 0.391203 0.391203 0.891203 ] [ 0.608797 0.391203 0.108797 ] [ 0.391203 0.608797 0.108797 ] ] } "species" { "source-value" [ "Tl" "Tl" "Tl" "Tl" "Cl" "Cl" "Cl" "Cl" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 7.78564848799 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 4.238028923333333 "source-unit" "eV" } }