{ "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 0 0 ] [ 0.5 0.5 0.5 ] [ 0.777687 0.990647 0.353397 ] [ 0.722313 0.490647 0.146603 ] [ 0.222313 0.009353 0.646603 ] [ 0.277687 0.509353 0.853397 ] [ 0.455165 0.816237 0.787766 ] [ 0.044835 0.316237 0.712234 ] [ 0.955165 0.683763 0.287766 ] [ 0.544835 0.183763 0.212234 ] [ 0.704011 0.087965 0.399801 ] [ 0.795989 0.587965 0.100199 ] [ 0.189996 0.355671 0.533446 ] [ 0.310004 0.855671 0.966554 ] [ 0.810004 0.644329 0.466554 ] [ 0.689996 0.144329 0.033446 ] [ 0.73249 0.363289 0.68893 ] [ 0.76751 0.863289 0.81107 ] [ 0.26751 0.636711 0.31107 ] [ 0.23249 0.136711 0.18893 ] [ 0.087683 0.133567 0.771062 ] [ 0.412317 0.633567 0.728938 ] [ 0.912317 0.866433 0.228938 ] [ 0.587683 0.366433 0.271062 ] [ 0.204011 0.412035 0.899801 ] [ 0.295989 0.912035 0.600199 ] ] } "species" { "source-value" [ "Zn" "Zn" "H" "H" "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" 5.16589667077 "source-unit" "angstrom" } "b" { "source-value" 8.78213233 "source-unit" "angstrom" } "c" { "source-value" 7.51875367757 "source-unit" "angstrom" } "beta" { "source-value" 97.5921846811 "source-unit" "degree" } }