{ "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" [ [ 0.329579 0 0.198857 ] [ 0.670421 0 0.801143 ] [ 0.829579 0.5 0.198857 ] [ 0.170421 0.5 0.801143 ] [ 0 0.761416 0.5 ] [ 0 0.238584 0.5 ] [ 0 0.222467 0 ] [ 0 0.777533 0 ] [ 0.5 0.261416 0.5 ] [ 0.5 0.738584 0.5 ] [ 0.5 0.722467 0 ] [ 0.5 0.277533 0 ] [ 0.19801 0 0.691322 ] [ 0.80199 0 0.308678 ] [ 0.69801 0.5 0.691322 ] [ 0.30199 0.5 0.308678 ] [ 0.708523 0.145249 0.228077 ] [ 0.291477 0.145249 0.771923 ] [ 0.291477 0.854751 0.771923 ] [ 0.708523 0.854751 0.228077 ] [ 0 0 0.5 ] [ 0.208523 0.645249 0.228077 ] [ 0.791477 0.645249 0.771923 ] [ 0.791477 0.354751 0.771923 ] [ 0.208523 0.354751 0.228077 ] [ 0.5 0.5 0.5 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "K" "K" "K" "K" "K" "K" "K" "K" "Fe" "Fe" "Fe" "Fe" "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" 7.11554811682 "source-unit" "angstrom" } "b" { "source-value" 11.598330038 "source-unit" "angstrom" } "c" { "source-value" 7.0568112412 "source-unit" "angstrom" } "beta" { "source-value" 90.0737993423 "source-unit" "degree" } }