{ "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" [ [ 0.090453 0.5 0.269717 ] [ 0.909547 0.5 0.730283 ] [ 0.590453 0 0.269717 ] [ 0.409547 0 0.730283 ] [ 0.179793 0 0.811754 ] [ 0.820207 0 0.188246 ] [ 0.679793 0.5 0.811754 ] [ 0.320207 0.5 0.188246 ] [ 0.240435 0 0.319228 ] [ 0.759565 0 0.680772 ] [ 0.040035 0 0.760144 ] [ 0.959965 0 0.239856 ] [ 0.740435 0.5 0.319228 ] [ 0.259565 0.5 0.680772 ] [ 0.540035 0.5 0.760144 ] [ 0.459965 0.5 0.239856 ] [ 0.22147 0.5 0.848982 ] [ 0.820036 0 0.727476 ] [ 0.071389 0.809079 0.76859 ] [ 0.020217 0 0.255869 ] [ 0.928611 0.190921 0.23141 ] [ 0.928611 0.809079 0.23141 ] [ 0.77853 0.5 0.151018 ] [ 0.071389 0.190921 0.76859 ] [ 0.979783 0 0.744131 ] [ 0.179964 0 0.272524 ] [ 0.762731 0.5 0.536479 ] [ 0.237269 0.5 0.463521 ] [ 0.72147 0 0.848982 ] [ 0.320036 0.5 0.727476 ] [ 0.571389 0.309079 0.76859 ] [ 0.520217 0.5 0.255869 ] [ 0.428611 0.690921 0.23141 ] [ 0.428611 0.309079 0.23141 ] [ 0.27853 0 0.151018 ] [ 0.571389 0.690921 0.76859 ] [ 0.479783 0.5 0.744131 ] [ 0.679964 0.5 0.272524 ] [ 0.262731 0 0.536479 ] [ 0.737269 0 0.463521 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Ag" "Ag" "Ag" "Ag" "N" "N" "N" "N" "N" "N" "N" "N" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 20.8479788836 "source-unit" "angstrom" } "b" { "source-value" 5.76187596782 "source-unit" "angstrom" } "c" { "source-value" 5.5917133516 "source-unit" "angstrom" } "beta" { "source-value" 93.2933525996 "source-unit" "degree" } }