{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.697093 0.084379 0.213486 ] [ 0.302907 0.584379 0.286514 ] [ 0.302907 0.915621 0.786514 ] [ 0.697093 0.415621 0.713486 ] [ 0.955757 0.813808 0.573145 ] [ 0.044243 0.313808 0.926855 ] [ 0.044243 0.186192 0.426855 ] [ 0.955757 0.686192 0.073145 ] [ 0.761166 0.12519 0.582616 ] [ 0.238834 0.62519 0.917384 ] [ 0.238834 0.87481 0.417384 ] [ 0.761166 0.37481 0.082616 ] [ 0.941607 0.131415 0.558168 ] [ 0.058393 0.631415 0.941832 ] [ 0.058393 0.868585 0.441832 ] [ 0.941607 0.368585 0.058168 ] [ 0.900304 0.245171 0.68054 ] [ 0.099696 0.745171 0.81946 ] [ 0.099696 0.754829 0.31946 ] [ 0.900304 0.254829 0.18054 ] [ 0.017982 0.251179 0.663987 ] [ 0.982018 0.751179 0.836013 ] [ 0.982018 0.748821 0.336013 ] [ 0.017982 0.248821 0.163987 ] [ 0.540658 0.173347 0.113828 ] [ 0.459342 0.673347 0.386172 ] [ 0.459342 0.826653 0.886172 ] [ 0.540658 0.326653 0.613828 ] [ 0.719331 0.149051 0.311199 ] [ 0.280669 0.649051 0.188801 ] [ 0.280669 0.850949 0.688801 ] [ 0.719331 0.350949 0.811199 ] [ 0.556532 0.491686 0.117322 ] [ 0.443468 0.991686 0.382678 ] [ 0.443468 0.508314 0.882678 ] [ 0.556532 0.008314 0.617322 ] [ 0.74177 0.466647 0.321707 ] [ 0.25823 0.966647 0.178293 ] [ 0.25823 0.533353 0.678293 ] [ 0.74177 0.033353 0.821707 ] [ 0.483599 0.603633 0.150947 ] [ 0.516401 0.103633 0.349053 ] [ 0.516401 0.396367 0.849053 ] [ 0.483599 0.896367 0.650947 ] [ 0.604932 0.587816 0.284711 ] [ 0.395068 0.087816 0.215289 ] [ 0.395068 0.412184 0.715289 ] [ 0.604932 0.912184 0.784711 ] [ 0.799504 0.731051 0.519375 ] [ 0.200496 0.231051 0.980625 ] [ 0.200496 0.268949 0.480625 ] [ 0.799504 0.768949 0.019375 ] [ 0.780653 0.807253 0.596012 ] [ 0.219347 0.307253 0.903988 ] [ 0.219347 0.192747 0.403988 ] [ 0.780653 0.692747 0.096012 ] ] } "species" { "source-value" [ "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "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" 16.64397353 "source-unit" "angstrom" } "b" { "source-value" 6.67754049 "source-unit" "angstrom" } "c" { "source-value" 22.92695559 "source-unit" "angstrom" } "beta" { "source-value" 133.32936921 "source-unit" "degree" } }