{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-cubic-crystal" "instance-id" 1 "space-group" { "source-value" "Fd-3m" } "basis-atom-coordinates" { "source-value" [ [ 0.875 0.875 0.375 ] [ 0.625 0.125 0.125 ] [ 0.875 0.375 0.875 ] [ 0.625 0.625 0.625 ] [ 0.375 0.875 0.875 ] [ 0.125 0.125 0.625 ] [ 0.375 0.375 0.375 ] [ 0.125 0.625 0.125 ] [ 0.25 0 0.25 ] [ 0 0.25 0.25 ] [ 0 0 0 ] [ 0.25 0.25 0 ] [ 0.25 0.5 0.75 ] [ 0 0.75 0.75 ] [ 0 0.5 0.5 ] [ 0.25 0.75 0.5 ] [ 0.75 0 0.75 ] [ 0.5 0.25 0.75 ] [ 0.5 0 0.5 ] [ 0.75 0.25 0.5 ] [ 0.75 0.5 0.25 ] [ 0.5 0.75 0.25 ] [ 0.5 0.5 0 ] [ 0.75 0.75 0 ] [ 0.375 0.875 0.180201 ] [ 0.375 0.069799 0.375 ] [ 0.125 0.125 0.930201 ] [ 0.125 0.819799 0.625 ] [ 0.180201 0.875 0.375 ] [ 0.569799 0.875 0.375 ] [ 0.319799 0.125 0.125 ] [ 0.375 0.180201 0.875 ] [ 0.375 0.875 0.569799 ] [ 0.930201 0.125 0.125 ] [ 0.125 0.125 0.319799 ] [ 0.125 0.930201 0.125 ] [ 0.375 0.375 0.680201 ] [ 0.375 0.569799 0.875 ] [ 0.125 0.625 0.430201 ] [ 0.125 0.319799 0.125 ] [ 0.180201 0.375 0.875 ] [ 0.569799 0.375 0.875 ] [ 0.319799 0.625 0.625 ] [ 0.375 0.680201 0.375 ] [ 0.375 0.375 0.069799 ] [ 0.930201 0.625 0.625 ] [ 0.125 0.625 0.819799 ] [ 0.125 0.430201 0.625 ] [ 0.875 0.875 0.680201 ] [ 0.875 0.069799 0.875 ] [ 0.625 0.125 0.430201 ] [ 0.625 0.819799 0.125 ] [ 0.680201 0.875 0.875 ] [ 0.069799 0.875 0.875 ] [ 0.819799 0.125 0.625 ] [ 0.875 0.180201 0.375 ] [ 0.875 0.875 0.069799 ] [ 0.430201 0.125 0.625 ] [ 0.625 0.125 0.819799 ] [ 0.625 0.930201 0.625 ] [ 0.875 0.375 0.180201 ] [ 0.875 0.569799 0.375 ] [ 0.625 0.625 0.930201 ] [ 0.625 0.319799 0.625 ] [ 0.680201 0.375 0.375 ] [ 0.069799 0.375 0.375 ] [ 0.819799 0.625 0.125 ] [ 0.875 0.680201 0.875 ] [ 0.875 0.375 0.569799 ] [ 0.430201 0.625 0.125 ] [ 0.625 0.625 0.319799 ] [ 0.625 0.430201 0.125 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "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" "O" "O" "O" "O" "O" "O" "O" "O" ] } "short-name" { "source-value" [ "diamond" ] } "a" { "source-value" 10.5158837878 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 5.283389412222222 "source-unit" "eV" } }