{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-cubic-crystal" "instance-id" 1 "space-group" { "source-value" "P-43n" } "basis-atom-coordinates" { "source-value" [ [ 0.181112 0.818888 0.818888 ] [ 0.318888 0.681112 0.318888 ] [ 0.181112 0.181112 0.181112 ] [ 0.318888 0.318888 0.681112 ] [ 0.681112 0.318888 0.318888 ] [ 0.818888 0.818888 0.181112 ] [ 0.681112 0.681112 0.681112 ] [ 0.818888 0.181112 0.818888 ] [ 0 0.5 0.75 ] [ 0 0.5 0.25 ] [ 0.25 0 0.5 ] [ 0.5 0.25 0 ] [ 0.5 0.75 0 ] [ 0.75 0 0.5 ] [ 0.25 0.5 0 ] [ 0.5 0 0.25 ] [ 0.75 0.5 0 ] [ 0 0.25 0.5 ] [ 0.5 0 0.75 ] [ 0 0.75 0.5 ] [ 0.5 0.5 0.5 ] [ 0 0 0 ] [ 0.14492 0.145269 0.430872 ] [ 0.85508 0.854731 0.430872 ] [ 0.64492 0.930872 0.645269 ] [ 0.354731 0.35508 0.930872 ] [ 0.645269 0.64492 0.930872 ] [ 0.35508 0.930872 0.354731 ] [ 0.430872 0.14492 0.145269 ] [ 0.145269 0.569128 0.85508 ] [ 0.930872 0.354731 0.35508 ] [ 0.645269 0.35508 0.069128 ] [ 0.64492 0.069128 0.354731 ] [ 0.14492 0.854731 0.569128 ] [ 0.430872 0.85508 0.854731 ] [ 0.854731 0.430872 0.85508 ] [ 0.35508 0.069128 0.645269 ] [ 0.930872 0.645269 0.64492 ] [ 0.069128 0.354731 0.64492 ] [ 0.854731 0.569128 0.14492 ] [ 0.145269 0.430872 0.14492 ] [ 0.069128 0.645269 0.35508 ] [ 0.354731 0.64492 0.069128 ] [ 0.569128 0.85508 0.145269 ] [ 0.569128 0.14492 0.854731 ] [ 0.85508 0.145269 0.569128 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Al" "Al" "Al" "Al" "Al" "Al" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Br" "Br" "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" 9.20125849 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.191175709347826 "source-unit" "eV" } }