{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-cubic-crystal" "instance-id" 1 "space-group" { "source-value" "Im3" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0 0 0.5 ] [ 0.5 0 0.5 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.25 ] [ 0.75 0.25 0.75 ] [ 0.75 0.75 0.75 ] [ 0.75 0.25 0.25 ] [ 0.25 0.25 0.75 ] [ 0.25 0.75 0.25 ] [ 0.25 0.25 0.25 ] [ 0.170071 0.695383 0 ] [ 0.829929 0.304617 0 ] [ 0.829929 0.695383 0 ] [ 0.304617 0 0.170071 ] [ 0 0.170071 0.304617 ] [ 0 0.170071 0.695383 ] [ 0.304617 0 0.829929 ] [ 0 0.829929 0.695383 ] [ 0.170071 0.304617 0 ] [ 0.695383 0 0.829929 ] [ 0 0.829929 0.304617 ] [ 0.695383 0 0.170071 ] [ 0.670071 0.195383 0.5 ] [ 0.329929 0.804617 0.5 ] [ 0.329929 0.195383 0.5 ] [ 0.804617 0.5 0.670071 ] [ 0.5 0.670071 0.804617 ] [ 0.5 0.670071 0.195383 ] [ 0.804617 0.5 0.329929 ] [ 0.5 0.329929 0.195383 ] [ 0.670071 0.804617 0.5 ] [ 0.195383 0.5 0.329929 ] [ 0.5 0.329929 0.804617 ] [ 0.195383 0.5 0.670071 ] ] } "species" { "source-value" [ "Nd" "Nd" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Ru" "Ru" "Ru" "Ru" "Ru" "Ru" "Ru" "Ru" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 7.53342112243 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.8106424875 "source-unit" "eV" } }