{ "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" [ [ 0.5 0 0 ] [ 0.5 0.5 0.5 ] [ 0 0.5 0 ] [ 0 0 0.5 ] [ 0.698024 0 0.663624 ] [ 0.301976 0 0.336376 ] [ 0.198024 0.5 0.663624 ] [ 0.801976 0.5 0.336376 ] [ 0.315727 0.216695 0.435185 ] [ 0.284353 0 0.158389 ] [ 0.315727 0.783305 0.435185 ] [ 0.684273 0.216695 0.564815 ] [ 0.184273 0.283305 0.564815 ] [ 0.715647 0 0.841611 ] [ 0.815727 0.716695 0.435185 ] [ 0.784353 0.5 0.158389 ] [ 0.815727 0.283305 0.435185 ] [ 0.184273 0.716695 0.564815 ] [ 0.684273 0.783305 0.564815 ] [ 0.215647 0.5 0.841611 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "C" "C" "C" "C" "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" 15.4307006662 "source-unit" "angstrom" } "b" { "source-value" 5.19440831658 "source-unit" "angstrom" } "c" { "source-value" 8.58598973042 "source-unit" "angstrom" } "beta" { "source-value" 155.837939079 "source-unit" "degree" } }