{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnam" } "basis-atom-coordinates" { "source-value" [ [ 0.334224 0.749405 0.25 ] [ 0.834224 0.750595 0.25 ] [ 0.165776 0.249405 0.75 ] [ 0.665776 0.250595 0.75 ] [ 0.587125 0.365179 0.25 ] [ 0.087125 0.134821 0.25 ] [ 0.912875 0.865179 0.75 ] [ 0.412875 0.634821 0.75 ] [ 0.584123 0.622825 0.126554 ] [ 0.084123 0.877175 0.373446 ] [ 0.415877 0.377175 0.626554 ] [ 0.584123 0.622825 0.373446 ] [ 0.084123 0.877175 0.126554 ] [ 0.915877 0.122825 0.626554 ] [ 0.415877 0.377175 0.873446 ] [ 0.915877 0.122825 0.873446 ] [ 0.912399 0.638012 0.603496 ] [ 0.087601 0.361988 0.103496 ] [ 0.587601 0.138012 0.396504 ] [ 0.587601 0.138012 0.103496 ] [ 0.412399 0.861988 0.603496 ] [ 0.912399 0.638012 0.896504 ] [ 0.412399 0.861988 0.896504 ] [ 0.087601 0.361988 0.396504 ] ] } "species" { "source-value" [ "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.11853519 "source-unit" "angstrom" } "b" { "source-value" 7.66893927 "source-unit" "angstrom" } "c" { "source-value" 12.42240976 "source-unit" "angstrom" } }