{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0 0.5 ] [ 0 0.65942 0 ] [ 0 0.34058 0 ] [ 0.5 0.5 0 ] [ 0 0.5 0.5 ] [ 0.5 0.15942 0 ] [ 0.5 0.84058 0 ] [ 0 0.167032 0.5 ] [ 0 0.832968 0.5 ] [ 0.5 0.667032 0.5 ] [ 0.5 0.332968 0.5 ] [ 0.162041 0 0.683166 ] [ 0.761811 0.20116 0.686371 ] [ 0.761811 0.79884 0.686371 ] [ 0.238189 0.20116 0.313629 ] [ 0.238189 0.79884 0.313629 ] [ 0.837959 0 0.316834 ] [ 0.662041 0.5 0.683166 ] [ 0.261811 0.70116 0.686371 ] [ 0.261811 0.29884 0.686371 ] [ 0.738189 0.70116 0.313629 ] [ 0.738189 0.29884 0.313629 ] [ 0.337959 0.5 0.316834 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Ce" "Ce" "Ce" "Ce" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.44473856 "source-unit" "angstrom" } "b" { "source-value" 11.15173708 "source-unit" "angstrom" } "c" { "source-value" 6.98663618 "source-unit" "angstrom" } "beta" { "source-value" 108.0429201 "source-unit" "degree" } }