{ "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" [ [ 0.185806 0 0.341448 ] [ 0.814194 0 0.658552 ] [ 0.832153 0.5 0.159433 ] [ 0.167847 0.5 0.840567 ] [ 0.685806 0.5 0.341448 ] [ 0.314194 0.5 0.658552 ] [ 0.332153 0 0.159433 ] [ 0.667847 0 0.840567 ] [ 0.907063 0.5 0.490376 ] [ 0.092937 0.5 0.509624 ] [ 0.910071 0.5 0.913722 ] [ 0.022644 0 0.633035 ] [ 0.977356 0 0.366965 ] [ 0.01453 0 0.878382 ] [ 0.98547 0 0.121618 ] [ 0.089929 0.5 0.086278 ] [ 0.407063 0 0.490376 ] [ 0.592937 0 0.509624 ] [ 0.410071 0 0.913722 ] [ 0.522644 0.5 0.633035 ] [ 0.477356 0.5 0.366965 ] [ 0.51453 0.5 0.878382 ] [ 0.48547 0.5 0.121618 ] [ 0.589929 0 0.086278 ] [ 0.967497 0.5 0.725947 ] [ 0.854233 0 0.958029 ] [ 0.145767 0 0.041971 ] [ 0.839526 0 0.387806 ] [ 0.032503 0.5 0.274053 ] [ 0.160474 0 0.612194 ] [ 0.467497 0 0.725947 ] [ 0.354233 0.5 0.958029 ] [ 0.645767 0.5 0.041971 ] [ 0.339526 0.5 0.387806 ] [ 0.532503 0 0.274053 ] [ 0.660474 0.5 0.612194 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 17.84089769 "source-unit" "angstrom" } "b" { "source-value" 4.30273931 "source-unit" "angstrom" } "c" { "source-value" 11.74111843 "source-unit" "angstrom" } "beta" { "source-value" 108.43526538 "source-unit" "degree" } }