{ "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" [ [ 0.054818 0 0.339785 ] [ 0.945182 0 0.660215 ] [ 0.554818 0.5 0.339785 ] [ 0.445182 0.5 0.660215 ] [ 0.378886 0 0.410653 ] [ 0.621114 0 0.589347 ] [ 0.878886 0.5 0.410653 ] [ 0.121114 0.5 0.589347 ] [ 0 0.238321 0 ] [ 0 0.761679 0 ] [ 0.5 0.738321 0 ] [ 0.5 0.261679 0 ] [ 0.578271 0 0.345524 ] [ 0.237203 0.246892 0.799371 ] [ 0.421729 0 0.654476 ] [ 0.762797 0.753108 0.200629 ] [ 0.737203 0.253108 0.799371 ] [ 0.262797 0.746892 0.200629 ] [ 0.078271 0.5 0.345524 ] [ 0.737203 0.746892 0.799371 ] [ 0.921729 0.5 0.654476 ] [ 0.262797 0.253108 0.200629 ] [ 0.237203 0.753108 0.799371 ] [ 0.762797 0.246892 0.200629 ] ] } "species" { "source-value" [ "Tl" "Tl" "Tl" "Tl" "P" "P" "P" "P" "Au" "Au" "Au" "Au" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 15.1990063295 "source-unit" "angstrom" } "b" { "source-value" 7.34766362932 "source-unit" "angstrom" } "c" { "source-value" 11.0490767395 "source-unit" "angstrom" } "beta" { "source-value" 147.041239205 "source-unit" "degree" } }