{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0.787876 0.898022 0.340783 ] [ 0.787876 0.101978 0.840783 ] [ 0.212124 0.101978 0.659217 ] [ 0.212124 0.898022 0.159217 ] [ 0.287876 0.398022 0.340783 ] [ 0.287876 0.601978 0.840783 ] [ 0.712124 0.601978 0.659217 ] [ 0.712124 0.398022 0.159217 ] [ 0.085919 0.722377 0.539039 ] [ 0.914081 0.722377 0.960961 ] [ 0.914081 0.277623 0.460961 ] [ 0.085919 0.277623 0.039039 ] [ 0.585919 0.222377 0.539039 ] [ 0.414081 0.222377 0.960961 ] [ 0.414081 0.777623 0.460961 ] [ 0.585919 0.777623 0.039039 ] [ 0.860434 0.960599 0.596845 ] [ 0.139566 0.039401 0.403155 ] [ 0.052597 0.43434 0.662026 ] [ 0.139566 0.960599 0.903155 ] [ 0.052597 0.56566 0.162026 ] [ 0.860434 0.039401 0.096845 ] [ 0.947403 0.56566 0.337974 ] [ 0.947403 0.43434 0.837974 ] [ 0.360434 0.460599 0.596845 ] [ 0.639566 0.539401 0.403155 ] [ 0.552597 0.93434 0.662026 ] [ 0.639566 0.460599 0.903155 ] [ 0.552597 0.06566 0.162026 ] [ 0.360434 0.539401 0.096845 ] [ 0.447403 0.06566 0.337974 ] [ 0.447403 0.93434 0.837974 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.02457719 "source-unit" "angstrom" } "b" { "source-value" 7.51767143 "source-unit" "angstrom" } "c" { "source-value" 11.07511111 "source-unit" "angstrom" } "beta" { "source-value" 97.04992761 "source-unit" "degree" } }