{ "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" [ [ 0.802028 0 0.390051 ] [ 0.197972 0 0.609949 ] [ 0 0 0 ] [ 0.302028 0.5 0.390051 ] [ 0.697972 0.5 0.609949 ] [ 0.5 0.5 0 ] [ 0.5 0 0 ] [ 0 0.5 0 ] [ 0.571074 0 0.765901 ] [ 0.428926 0 0.234099 ] [ 0.071074 0.5 0.765901 ] [ 0.928926 0.5 0.234099 ] [ 0.712923 0 0.742394 ] [ 0.287077 0 0.257606 ] [ 0.603011 0 0.977858 ] [ 0.396989 0 0.022142 ] [ 0.985104 0.287712 0.690654 ] [ 0.014896 0.287712 0.309346 ] [ 0.014896 0.712288 0.309346 ] [ 0.985104 0.712288 0.690654 ] [ 0.212923 0.5 0.742394 ] [ 0.787077 0.5 0.257606 ] [ 0.103011 0.5 0.977858 ] [ 0.896989 0.5 0.022142 ] [ 0.485104 0.787712 0.690654 ] [ 0.514896 0.787712 0.309346 ] [ 0.514896 0.212288 0.309346 ] [ 0.485104 0.212288 0.690654 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "H" "H" "Se" "Se" "Se" "Se" "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" 11.0885412338 "source-unit" "angstrom" } "b" { "source-value" 6.51247440661 "source-unit" "angstrom" } "c" { "source-value" 8.6806855899 "source-unit" "angstrom" } "beta" { "source-value" 111.819095519 "source-unit" "degree" } }