{ "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" [ [ 0.269054 0 0.767491 ] [ 0.730946 0 0.232509 ] [ 0.769054 0.5 0.767491 ] [ 0.230946 0.5 0.232509 ] [ 0 0 0 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] [ 0 0.5 0.5 ] [ 0.714575 0 0.64587 ] [ 0.963913 0.763968 0.18357 ] [ 0.036087 0.236032 0.81643 ] [ 0.036087 0.763968 0.81643 ] [ 0.963913 0.236032 0.18357 ] [ 0.285425 0 0.35413 ] [ 0.214575 0.5 0.64587 ] [ 0.463913 0.263968 0.18357 ] [ 0.536087 0.736032 0.81643 ] [ 0.536087 0.263968 0.81643 ] [ 0.463913 0.736032 0.18357 ] [ 0.785425 0.5 0.35413 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Au" "Au" "Au" "Au" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 13.809381025 "source-unit" "angstrom" } "b" { "source-value" 8.07435663885 "source-unit" "angstrom" } "c" { "source-value" 8.88058949628 "source-unit" "angstrom" } "beta" { "source-value" 117.89565757 "source-unit" "degree" } }