{ "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 0.83323 0 ] [ 0 0.16677 0 ] [ 0.5 0.33323 0 ] [ 0.5 0.66677 0 ] [ 0.218846 0 0.219505 ] [ 0.781154 0 0.780495 ] [ 0.248701 0.822382 0.780879 ] [ 0.751299 0.822382 0.219121 ] [ 0.751299 0.177618 0.219121 ] [ 0.248701 0.177618 0.780879 ] [ 0.718846 0.5 0.219505 ] [ 0.281154 0.5 0.780495 ] [ 0.748701 0.322382 0.780879 ] [ 0.251299 0.322382 0.219121 ] [ 0.251299 0.677618 0.219121 ] [ 0.748701 0.677618 0.780879 ] ] } "species" { "source-value" [ "Rh" "Rh" "Rh" "Rh" "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" 6.44589501255 "source-unit" "angstrom" } "b" { "source-value" 11.1520665206 "source-unit" "angstrom" } "c" { "source-value" 6.77750508545 "source-unit" "angstrom" } "beta" { "source-value" 108.636897225 "source-unit" "degree" } }