{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P6_3/m" } "basis-atom-coordinates" { "source-value" [ [ 0.666667 0.333333 0.75 ] [ 0.333333 0.666667 0.25 ] [ 0.089401 0.39216 0.75 ] [ 0.39216 0.30276 0.25 ] [ 0.60784 0.69724 0.75 ] [ 0.910599 0.60784 0.25 ] [ 0.30276 0.910599 0.75 ] [ 0.69724 0.089401 0.25 ] [ 0.491997 0.648576 0.520714 ] [ 0.351424 0.843421 0.520714 ] [ 0.841148 0.731185 0.25 ] [ 0.109963 0.841148 0.75 ] [ 0.268815 0.109963 0.25 ] [ 0.158852 0.268815 0.75 ] [ 0.508003 0.351424 0.020714 ] [ 0.890037 0.158852 0.25 ] [ 0.108728 0.708311 0.25 ] [ 0.156579 0.508003 0.979286 ] [ 0.156579 0.508003 0.520714 ] [ 0.891272 0.291689 0.75 ] [ 0.291689 0.400417 0.25 ] [ 0.708311 0.599583 0.75 ] [ 0.843421 0.491997 0.479286 ] [ 0.400417 0.108728 0.75 ] [ 0.648576 0.156579 0.020714 ] [ 0.491997 0.648576 0.979286 ] [ 0.351424 0.843421 0.979286 ] [ 0.648576 0.156579 0.479286 ] [ 0.508003 0.351424 0.479286 ] [ 0.843421 0.491997 0.020714 ] [ 0.731185 0.890037 0.75 ] [ 0.599583 0.891272 0.25 ] ] } "species" { "source-value" [ "Yb" "Yb" "Re" "Re" "Re" "Re" "Re" "Re" "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" 10.2414839754 "source-unit" "angstrom" } "c" { "source-value" 6.24029662 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 7.9083260521875 "source-unit" "eV" } }