{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-cubic-crystal" "instance-id" 1 "space-group" { "source-value" "I2_13" } "basis-atom-coordinates" { "source-value" [ [ 0.186108 0 0.75 ] [ 0.75 0.813893 0.5 ] [ 0.5 0.75 0.813893 ] [ 0.75 0.186108 0 ] [ 0 0.75 0.186108 ] [ 0.813893 0.5 0.75 ] [ 0.686107 0.5 0.25 ] [ 0.25 0.313893 0 ] [ 0 0.25 0.313893 ] [ 0.25 0.686107 0.5 ] [ 0.5 0.25 0.686107 ] [ 0.313893 0 0.25 ] [ 0.772209 0.227791 0.727791 ] [ 0.227791 0.727791 0.772209 ] [ 0.772209 0.772209 0.772209 ] [ 0.727791 0.772209 0.227791 ] [ 0.272209 0.727791 0.227791 ] [ 0.727791 0.227791 0.272209 ] [ 0.272209 0.272209 0.272209 ] [ 0.227791 0.272209 0.727791 ] [ 0.504851 0.495149 0.995149 ] [ 0.495149 0.995149 0.504851 ] [ 0.995149 0.504851 0.495149 ] [ 0.004851 0.004851 0.004851 ] [ 0.004851 0.995149 0.495149 ] [ 0.995149 0.495149 0.004851 ] [ 0.495149 0.004851 0.995149 ] [ 0.504851 0.504851 0.504851 ] ] } "species" { "source-value" [ "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" ] } "a" { "source-value" 9.91961063922 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 1.8370119035714285 "source-unit" "eV" } }