{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cc" } "basis-atom-coordinates" { "source-value" [ [ 0.278813 0.169838 0.51865 ] [ 0.278813 0.830162 0.01865 ] [ 0.778813 0.669838 0.51865 ] [ 0.778813 0.330162 0.01865 ] [ 0.750996 0.022504 0.42437 ] [ 0.750996 0.977496 0.92437 ] [ 0.250996 0.522504 0.42437 ] [ 0.250996 0.477496 0.92437 ] [ 0.863149 0.836495 0.11074 ] [ 0.863149 0.163505 0.61074 ] [ 0.00705 0.064583 0.979916 ] [ 0.00705 0.935417 0.479916 ] [ 0.579032 0.949177 0.564924 ] [ 0.579032 0.050823 0.064924 ] [ 0.363149 0.336495 0.11074 ] [ 0.363149 0.663505 0.61074 ] [ 0.50705 0.564583 0.979916 ] [ 0.50705 0.435417 0.479916 ] [ 0.079032 0.449177 0.564924 ] [ 0.079032 0.550823 0.064924 ] ] } "species" { "source-value" [ "Tl" "Tl" "Tl" "Tl" "B" "B" "B" "B" "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" 7.4998702296 "source-unit" "angstrom" } "b" { "source-value" 12.4564934233 "source-unit" "angstrom" } "c" { "source-value" 6.2393605144 "source-unit" "angstrom" } "beta" { "source-value" 116.424805303 "source-unit" "degree" } }