{ "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" [ [ 0.909879 0 0.204389 ] [ 0.090121 0 0.795611 ] [ 0.15785 0.5 0.316777 ] [ 0.84215 0.5 0.683223 ] [ 0.409879 0.5 0.204389 ] [ 0.590121 0.5 0.795611 ] [ 0.65785 0 0.316777 ] [ 0.34215 0 0.683223 ] [ 0.839794 0 0.891047 ] [ 0.160206 0 0.108953 ] [ 0.004979 0.5 0.742558 ] [ 0.995021 0.5 0.257442 ] [ 0.173605 0 0.567412 ] [ 0.826395 0 0.432588 ] [ 0.339794 0.5 0.891047 ] [ 0.660206 0.5 0.108953 ] [ 0.504979 0 0.742558 ] [ 0.495021 0 0.257442 ] [ 0.673605 0.5 0.567412 ] [ 0.326395 0.5 0.432588 ] ] } "species" { "source-value" [ "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "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" 11.92574815 "source-unit" "angstrom" } "b" { "source-value" 2.94094966 "source-unit" "angstrom" } "c" { "source-value" 5.67051513 "source-unit" "angstrom" } "beta" { "source-value" 104.02949856 "source-unit" "degree" } }