{ "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" [ [ 0.627773 0.5 0.697706 ] [ 0.372227 0.5 0.302294 ] [ 0.817931 0.5 0.99891 ] [ 0.182069 0.5 0.00109 ] [ 0.771914 0 0.702306 ] [ 0.228086 0 0.297694 ] [ 0.127773 0 0.697706 ] [ 0.872227 0 0.302294 ] [ 0.317931 0 0.99891 ] [ 0.682069 0 0.00109 ] [ 0.271914 0.5 0.702306 ] [ 0.728086 0.5 0.297694 ] [ 0.5 0 0.5 ] [ 0.053378 0 0.833604 ] [ 0.946622 0 0.166396 ] [ 0.166654 0 0.4884 ] [ 0.833346 0 0.5116 ] [ 0.891888 0.5 0.844748 ] [ 0.108112 0.5 0.155252 ] [ 0 0.5 0.5 ] [ 0.553378 0.5 0.833604 ] [ 0.446622 0.5 0.166396 ] [ 0.666654 0.5 0.4884 ] [ 0.333346 0.5 0.5116 ] [ 0.391888 0 0.844748 ] [ 0.608112 0 0.155252 ] ] } "species" { "source-value" [ "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Br" "Br" "Br" "Br" "Br" "Br" "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" 21.5018993395 "source-unit" "angstrom" } "b" { "source-value" 3.80910917766 "source-unit" "angstrom" } "c" { "source-value" 11.7478650203 "source-unit" "angstrom" } "beta" { "source-value" 123.66879389 "source-unit" "degree" } }