{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-cubic-crystal" "instance-id" 1 "space-group" { "source-value" "I23" } "basis-atom-coordinates" { "source-value" [ [ 0.315158 0.825864 0.013392 ] [ 0.986608 0.315158 0.174136 ] [ 0.013392 0.684842 0.174136 ] [ 0.174136 0.013392 0.684842 ] [ 0.174136 0.986608 0.315158 ] [ 0.684842 0.825864 0.986608 ] [ 0.315158 0.174136 0.986608 ] [ 0.825864 0.986608 0.684842 ] [ 0.825864 0.013392 0.315158 ] [ 0.986608 0.684842 0.825864 ] [ 0.013392 0.315158 0.825864 ] [ 0.684842 0.174136 0.013392 ] [ 0.815158 0.325864 0.513392 ] [ 0.486608 0.815158 0.674136 ] [ 0.513392 0.184842 0.674136 ] [ 0.674136 0.513392 0.184842 ] [ 0.674136 0.486608 0.815158 ] [ 0.184842 0.325864 0.486608 ] [ 0.815158 0.674136 0.486608 ] [ 0.325864 0.486608 0.184842 ] [ 0.325864 0.513392 0.815158 ] [ 0.486608 0.184842 0.325864 ] [ 0.513392 0.815158 0.325864 ] [ 0.184842 0.674136 0.513392 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.800209 0.199791 0.199791 ] [ 0.368673 0.986218 0.754267 ] [ 0.986218 0.245733 0.631327 ] [ 0.513782 0.745733 0.868673 ] [ 0.086152 0.086152 0.086152 ] [ 0.086152 0.913848 0.913848 ] [ 0.131327 0.513782 0.254267 ] [ 0.199791 0.800209 0.199791 ] [ 0.745733 0.868673 0.513782 ] [ 0.245733 0.631327 0.986218 ] [ 0.754267 0.368673 0.986218 ] [ 0.254267 0.131327 0.513782 ] [ 0.800209 0.800209 0.800209 ] [ 0.868673 0.513782 0.745733 ] [ 0.913848 0.913848 0.086152 ] [ 0.913848 0.086152 0.913848 ] [ 0.986218 0.754267 0.368673 ] [ 0.513782 0.254267 0.131327 ] [ 0.631327 0.986218 0.245733 ] [ 0.199791 0.199791 0.800209 ] [ 0.300209 0.699791 0.699791 ] [ 0.868673 0.486218 0.254267 ] [ 0.486218 0.745733 0.131327 ] [ 0.013782 0.245733 0.368673 ] [ 0.586152 0.586152 0.586152 ] [ 0.586152 0.413848 0.413848 ] [ 0.631327 0.013782 0.754267 ] [ 0.699791 0.300209 0.699791 ] [ 0.245733 0.368673 0.013782 ] [ 0.745733 0.131327 0.486218 ] [ 0.254267 0.868673 0.486218 ] [ 0.754267 0.631327 0.013782 ] [ 0.300209 0.300209 0.300209 ] [ 0.368673 0.013782 0.245733 ] [ 0.413848 0.413848 0.586152 ] [ 0.413848 0.586152 0.413848 ] [ 0.486218 0.254267 0.868673 ] [ 0.013782 0.754267 0.631327 ] [ 0.131327 0.486218 0.745733 ] [ 0.699791 0.699791 0.300209 ] ] } "species" { "source-value" [ "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "B" "B" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 10.1448815 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 5.870598667272727 "source-unit" "eV" } }