{ "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" [ [ 0.914144 0 0.058366 ] [ 0.802277 0.5 0.242738 ] [ 0.852967 0 0.585743 ] [ 0.147033 0 0.414257 ] [ 0.197723 0.5 0.757262 ] [ 0.085856 0 0.941634 ] [ 0.414144 0.5 0.058366 ] [ 0.302277 0 0.242738 ] [ 0.352967 0.5 0.585743 ] [ 0.647033 0.5 0.414257 ] [ 0.697723 0 0.757262 ] [ 0.585856 0.5 0.941634 ] [ 0.884377 0 0.245707 ] [ 0.882742 0.5 0.476254 ] [ 0.170483 0.5 0.00395 ] [ 0.243497 0.5 0.376889 ] [ 0.756503 0.5 0.623111 ] [ 0.829517 0.5 0.99605 ] [ 0.117258 0.5 0.523746 ] [ 0.115623 0 0.754293 ] [ 0.384377 0.5 0.245707 ] [ 0.382742 0 0.476254 ] [ 0.670483 0 0.00395 ] [ 0.743497 0 0.376889 ] [ 0.256503 0 0.623111 ] [ 0.329517 0 0.99605 ] [ 0.617258 0 0.523746 ] [ 0.615623 0.5 0.754293 ] [ 0.974986 0.5 0.820645 ] [ 0.025014 0.5 0.179355 ] [ 0.474986 0 0.820645 ] [ 0.525014 0 0.179355 ] ] } "species" { "source-value" [ "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 17.46998567 "source-unit" "angstrom" } "b" { "source-value" 3.54009859 "source-unit" "angstrom" } "c" { "source-value" 10.03086933 "source-unit" "angstrom" } "beta" { "source-value" 113.80745544 "source-unit" "degree" } }