{ "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" [ [ 0.978344 0.5 0.232574 ] [ 0.021656 0.5 0.767426 ] [ 0.478344 0 0.232574 ] [ 0.521656 0 0.767426 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.993926 0 0.337012 ] [ 0.006074 0 0.662988 ] [ 0.493926 0.5 0.337012 ] [ 0.506074 0.5 0.662988 ] [ 0.802831 0.207215 0.787126 ] [ 0.197169 0.792785 0.212874 ] [ 0.802831 0.792785 0.787126 ] [ 0.197169 0.207215 0.212874 ] [ 0.302831 0.707215 0.787126 ] [ 0.697169 0.292785 0.212874 ] [ 0.302831 0.292785 0.787126 ] [ 0.697169 0.707215 0.212874 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Pd" "Pd" "I" "I" "I" "I" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 13.0715083663 "source-unit" "angstrom" } "b" { "source-value" 8.46474860105 "source-unit" "angstrom" } "c" { "source-value" 9.16117173313 "source-unit" "angstrom" } "beta" { "source-value" 136.988710074 "source-unit" "degree" } }