{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-cubic-crystal" "instance-id" 1 "space-group" { "source-value" "P2_13" } "basis-atom-coordinates" { "source-value" [ [ 0.284396 0.284396 0.284396 ] [ 0.215604 0.715604 0.784396 ] [ 0.784396 0.215604 0.715604 ] [ 0.715604 0.784396 0.215604 ] [ 0.710206 0.210206 0.289794 ] [ 0.789794 0.789794 0.789794 ] [ 0.978918 0.521082 0.478918 ] [ 0.521082 0.478918 0.978918 ] [ 0.478918 0.978918 0.521082 ] [ 0.021082 0.021082 0.021082 ] [ 0.210206 0.289794 0.710206 ] [ 0.289794 0.710206 0.210206 ] [ 0.486194 0.013806 0.986194 ] [ 0.013806 0.986194 0.486194 ] [ 0.986194 0.486194 0.013806 ] [ 0.513806 0.513806 0.513806 ] [ 0.438919 0.003524 0.2151 ] [ 0.938919 0.496476 0.7849 ] [ 0.561081 0.503524 0.2849 ] [ 0.496476 0.7849 0.938919 ] [ 0.003524 0.2151 0.438919 ] [ 0.2151 0.438919 0.003524 ] [ 0.503524 0.2849 0.561081 ] [ 0.996476 0.7151 0.061081 ] [ 0.7151 0.061081 0.996476 ] [ 0.061081 0.996476 0.7151 ] [ 0.2849 0.561081 0.503524 ] [ 0.7849 0.938919 0.496476 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Bi" "Bi" "Bi" "Bi" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 8.9714009 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 4.422095143571428 "source-unit" "eV" } }