{ "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 0.166716 0 ] [ 0 0.833284 0 ] [ 0.5 0.666716 0 ] [ 0.5 0.333284 0 ] [ 0.74427 0.177141 0.208933 ] [ 0.25573 0.177141 0.791067 ] [ 0.787062 0 0.79099 ] [ 0.212938 0 0.20901 ] [ 0.74427 0.822859 0.208933 ] [ 0.25573 0.822859 0.791067 ] [ 0.24427 0.677141 0.208933 ] [ 0.75573 0.677141 0.791067 ] [ 0.287062 0.5 0.79099 ] [ 0.712938 0.5 0.20901 ] [ 0.24427 0.322859 0.208933 ] [ 0.75573 0.322859 0.791067 ] ] } "species" { "source-value" [ "Ir" "Ir" "Ir" "Ir" "Br" "Br" "Br" "Br" "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" 6.48184894432 "source-unit" "angstrom" } "b" { "source-value" 11.21535544 "source-unit" "angstrom" } "c" { "source-value" 6.97408188363 "source-unit" "angstrom" } "beta" { "source-value" 107.354297637 "source-unit" "degree" } }