{ "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" [ [ 0.625 0.375 0.375 ] [ 0.125 0.125 0.625 ] [ 0.375 0.375 0.625 ] [ 0.875 0.125 0.375 ] [ 0.625 0.875 0.875 ] [ 0.125 0.625 0.125 ] [ 0.375 0.875 0.125 ] [ 0.875 0.625 0.875 ] [ 0.125 0.375 0.875 ] [ 0.625 0.125 0.125 ] [ 0.875 0.375 0.125 ] [ 0.375 0.125 0.875 ] [ 0.125 0.875 0.375 ] [ 0.625 0.625 0.625 ] [ 0.875 0.875 0.625 ] [ 0.375 0.625 0.375 ] [ 0.875 0.125 0.875 ] [ 0.875 0.375 0.625 ] [ 0.625 0.125 0.625 ] [ 0.625 0.375 0.875 ] [ 0.875 0.625 0.375 ] [ 0.875 0.875 0.125 ] [ 0.625 0.625 0.125 ] [ 0.625 0.875 0.375 ] [ 0.375 0.125 0.375 ] [ 0.375 0.375 0.125 ] [ 0.125 0.125 0.125 ] [ 0.125 0.375 0.375 ] [ 0.375 0.625 0.875 ] [ 0.375 0.875 0.625 ] [ 0.125 0.625 0.625 ] [ 0.125 0.875 0.875 ] [ 0.954327 0.25 0.75 ] [ 0.204327 0 0 ] [ 0.75 0.045673 0.75 ] [ 0.25 0.954327 0.75 ] [ 0.75 0.25 0.25 ] [ 0.75 0.25 0.545673 ] [ 0.75 0.25 0.954327 ] [ 0 0 0.204327 ] [ 0 0.204327 0 ] [ 0.5 0.295673 0 ] [ 0 0 0.5 ] [ 0 0 0.795673 ] [ 0.545673 0.25 0.75 ] [ 0.795673 0 0 ] [ 0.954327 0.75 0.25 ] [ 0.204327 0.5 0.5 ] [ 0.75 0.545673 0.25 ] [ 0.25 0.454327 0.25 ] [ 0.75 0.75 0.75 ] [ 0.75 0.75 0.045673 ] [ 0.75 0.75 0.454327 ] [ 0 0.5 0.704327 ] [ 0 0.704327 0.5 ] [ 0.5 0.795673 0.5 ] [ 0 0.5 0 ] [ 0 0.5 0.295673 ] [ 0.545673 0.75 0.25 ] [ 0.795673 0.5 0.5 ] [ 0.454327 0.25 0.25 ] [ 0.704327 0 0.5 ] [ 0.25 0.045673 0.25 ] [ 0.75 0.954327 0.25 ] [ 0.25 0.25 0.75 ] [ 0.25 0.25 0.045673 ] [ 0.25 0.25 0.454327 ] [ 0.5 0 0.704327 ] [ 0.5 0.204327 0.5 ] [ 0 0.295673 0.5 ] [ 0.5 0 0 ] [ 0.5 0 0.295673 ] [ 0.045673 0.25 0.25 ] [ 0.295673 0 0.5 ] [ 0.454327 0.75 0.75 ] [ 0.704327 0.5 0 ] [ 0.25 0.545673 0.75 ] [ 0.75 0.454327 0.75 ] [ 0.25 0.75 0.25 ] [ 0.25 0.75 0.545673 ] [ 0.25 0.75 0.954327 ] [ 0.5 0.5 0.204327 ] [ 0.5 0.704327 0 ] [ 0 0.795673 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0.795673 ] [ 0.045673 0.75 0.75 ] [ 0.295673 0.5 0 ] ] } "species" { "source-value" [ "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "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" "O" "O" "O" "O" "O" "O" "O" "O" ] } "short-name" { "source-value" [ "diamond" ] } "a" { "source-value" 10.06871268 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 7.789161094545454 "source-unit" "eV" } }