{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Fm-3m" } "basis-atom-coordinates" { "source-value" [ [ 0.828587 0 0.171413 ] [ 0.828587 0 0.828587 ] [ 0 0.828587 0.171413 ] [ 0.138714 0.138714 0.638714 ] [ 0 0.828587 0.828587 ] [ 0.828587 0.171413 0 ] [ 0.638714 0.861286 0.138714 ] [ 0.638714 0.138714 0.861286 ] [ 0.171413 0.828587 0 ] [ 0.171413 0 0.828587 ] [ 0 0.171413 0.171413 ] [ 0.171413 0.171413 0 ] [ 0.171413 0 0.171413 ] [ 0 0.171413 0.828587 ] [ 0.861286 0.138714 0.638714 ] [ 0.138714 0.861286 0.361286 ] [ 0.861286 0.861286 0.361286 ] [ 0.828587 0.828587 0 ] [ 0.361286 0.138714 0.861286 ] [ 0.361286 0.861286 0.138714 ] [ 0 0 0.5 ] [ 0.828587 0.5 0.671413 ] [ 0.828587 0.5 0.328587 ] [ 0 0.328587 0.671413 ] [ 0.138714 0.638714 0.138714 ] [ 0 0.328587 0.328587 ] [ 0.828587 0.671413 0.5 ] [ 0.638714 0.361286 0.638714 ] [ 0.638714 0.638714 0.361286 ] [ 0.171413 0.328587 0.5 ] [ 0.171413 0.5 0.328587 ] [ 0 0.671413 0.671413 ] [ 0.171413 0.671413 0.5 ] [ 0.171413 0.5 0.671413 ] [ 0 0.671413 0.328587 ] [ 0.861286 0.638714 0.138714 ] [ 0.138714 0.361286 0.861286 ] [ 0.861286 0.361286 0.861286 ] [ 0.828587 0.328587 0.5 ] [ 0.361286 0.638714 0.361286 ] [ 0.361286 0.361286 0.638714 ] [ 0 0.5 0 ] [ 0.328587 0 0.671413 ] [ 0.328587 0 0.328587 ] [ 0.5 0.828587 0.671413 ] [ 0.638714 0.138714 0.138714 ] [ 0.5 0.828587 0.328587 ] [ 0.328587 0.171413 0.5 ] [ 0.138714 0.861286 0.638714 ] [ 0.138714 0.138714 0.361286 ] [ 0.671413 0.828587 0.5 ] [ 0.671413 0 0.328587 ] [ 0.5 0.171413 0.671413 ] [ 0.671413 0.171413 0.5 ] [ 0.671413 0 0.671413 ] [ 0.5 0.171413 0.328587 ] [ 0.361286 0.138714 0.138714 ] [ 0.638714 0.861286 0.861286 ] [ 0.361286 0.861286 0.861286 ] [ 0.328587 0.828587 0.5 ] [ 0.861286 0.138714 0.361286 ] [ 0.861286 0.861286 0.638714 ] [ 0.5 0 0 ] [ 0.328587 0.5 0.171413 ] [ 0.328587 0.5 0.828587 ] [ 0.5 0.328587 0.171413 ] [ 0.638714 0.638714 0.638714 ] [ 0.5 0.328587 0.828587 ] [ 0.328587 0.671413 0 ] [ 0.138714 0.361286 0.138714 ] [ 0.138714 0.638714 0.861286 ] [ 0.671413 0.328587 0 ] [ 0.671413 0.5 0.828587 ] [ 0.5 0.671413 0.171413 ] [ 0.671413 0.671413 0 ] [ 0.671413 0.5 0.171413 ] [ 0.5 0.671413 0.828587 ] [ 0.361286 0.638714 0.638714 ] [ 0.638714 0.361286 0.361286 ] [ 0.361286 0.361286 0.361286 ] [ 0.328587 0.328587 0 ] [ 0.861286 0.638714 0.861286 ] [ 0.861286 0.361286 0.138714 ] [ 0.5 0.5 0.5 ] [ 0.69375 0.80625 0.30625 ] [ 0.19375 0.19375 0.80625 ] [ 0.30625 0.80625 0.30625 ] [ 0.69375 0.19375 0.69375 ] [ 0.19375 0.80625 0.19375 ] [ 0.80625 0.19375 0.80625 ] [ 0.80625 0.80625 0.19375 ] [ 0.30625 0.19375 0.69375 ] [ 0.69375 0.30625 0.80625 ] [ 0.19375 0.69375 0.30625 ] [ 0.30625 0.30625 0.80625 ] [ 0.69375 0.69375 0.19375 ] [ 0.19375 0.30625 0.69375 ] [ 0.80625 0.69375 0.30625 ] [ 0.80625 0.30625 0.69375 ] [ 0.30625 0.69375 0.19375 ] [ 0.19375 0.80625 0.80625 ] [ 0.69375 0.19375 0.30625 ] [ 0.80625 0.80625 0.80625 ] [ 0.19375 0.19375 0.19375 ] [ 0.69375 0.80625 0.69375 ] [ 0.30625 0.19375 0.30625 ] [ 0.30625 0.80625 0.69375 ] [ 0.80625 0.19375 0.19375 ] [ 0.19375 0.30625 0.30625 ] [ 0.69375 0.69375 0.80625 ] [ 0.80625 0.30625 0.30625 ] [ 0.19375 0.69375 0.69375 ] [ 0.69375 0.30625 0.19375 ] [ 0.30625 0.69375 0.80625 ] [ 0.30625 0.30625 0.19375 ] [ 0.80625 0.69375 0.69375 ] [ 0.291979 0 0 ] [ 0 0 0.291979 ] [ 0.708021 0 0 ] [ 0 0 0.708021 ] [ 0 0.208021 0.5 ] [ 0 0.791979 0.5 ] [ 0 0 0 ] [ 0.291979 0.5 0.5 ] [ 0 0.5 0.791979 ] [ 0.708021 0.5 0.5 ] [ 0 0.5 0.208021 ] [ 0 0.708021 0 ] [ 0 0.291979 0 ] [ 0 0.5 0.5 ] [ 0.791979 0 0.5 ] [ 0.5 0 0.791979 ] [ 0.208021 0 0.5 ] [ 0.5 0 0.208021 ] [ 0.5 0.208021 0 ] [ 0.5 0.791979 0 ] [ 0.5 0 0.5 ] [ 0.791979 0.5 0 ] [ 0.5 0.5 0.291979 ] [ 0.208021 0.5 0 ] [ 0.5 0.5 0.708021 ] [ 0.5 0.708021 0.5 ] [ 0.5 0.291979 0.5 ] [ 0.5 0.5 0 ] [ 0.395836 0.75 0.25 ] [ 0.25 0.75 0.104164 ] [ 0.75 0.25 0.604164 ] [ 0.75 0.25 0.895836 ] [ 0.895836 0.25 0.75 ] [ 0.25 0.25 0.895836 ] [ 0.25 0.104164 0.75 ] [ 0.25 0.895836 0.25 ] [ 0.104164 0.25 0.75 ] [ 0.604164 0.25 0.75 ] [ 0.75 0.895836 0.25 ] [ 0.75 0.104164 0.75 ] [ 0.395836 0.25 0.75 ] [ 0.25 0.25 0.604164 ] [ 0.75 0.75 0.104164 ] [ 0.75 0.75 0.395836 ] [ 0.895836 0.75 0.25 ] [ 0.25 0.75 0.395836 ] [ 0.25 0.604164 0.25 ] [ 0.25 0.395836 0.75 ] [ 0.104164 0.75 0.25 ] [ 0.604164 0.75 0.25 ] [ 0.75 0.395836 0.75 ] [ 0.75 0.604164 0.25 ] [ 0.895836 0.75 0.75 ] [ 0.75 0.75 0.604164 ] [ 0.25 0.25 0.104164 ] [ 0.25 0.25 0.395836 ] [ 0.395836 0.25 0.25 ] [ 0.75 0.25 0.395836 ] [ 0.75 0.104164 0.25 ] [ 0.75 0.895836 0.75 ] [ 0.604164 0.25 0.25 ] [ 0.104164 0.25 0.25 ] [ 0.25 0.895836 0.75 ] [ 0.25 0.104164 0.25 ] [ 0.895836 0.25 0.25 ] [ 0.75 0.25 0.104164 ] [ 0.25 0.75 0.604164 ] [ 0.25 0.75 0.895836 ] [ 0.395836 0.75 0.75 ] [ 0.75 0.75 0.895836 ] [ 0.75 0.604164 0.75 ] [ 0.75 0.395836 0.25 ] [ 0.604164 0.75 0.75 ] [ 0.104164 0.75 0.75 ] [ 0.25 0.395836 0.25 ] [ 0.25 0.604164 0.75 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "short-name" { "source-value" [ "fcc" ] } "a" { "source-value" 16.1191633889 "source-unit" "angstrom" } }