{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.763767 0.995338 0.238289 ] [ 0.763767 0.504662 0.238289 ] [ 0.236233 0.495338 0.761711 ] [ 0.236233 0.004662 0.761711 ] [ 0.291413 0.75 0.422792 ] [ 0.708587 0.25 0.577208 ] [ 0.218425 0.25 0.345197 ] [ 0.781575 0.75 0.654803 ] [ 0.275122 0.25 0.071734 ] [ 0.724878 0.75 0.928266 ] [ 0.709971 0.75 0.06471 ] [ 0.056086 0.25 0.141287 ] [ 0.472043 0.25 0.165156 ] [ 0.208691 0.938215 0.329677 ] [ 0.208691 0.561785 0.329677 ] [ 0.841338 0.25 0.426863 ] [ 0.587453 0.75 0.445974 ] [ 0.412547 0.25 0.554026 ] [ 0.158662 0.75 0.573137 ] [ 0.791309 0.438215 0.670323 ] [ 0.791309 0.061785 0.670323 ] [ 0.527957 0.75 0.834844 ] [ 0.943914 0.75 0.858713 ] [ 0.290029 0.25 0.93529 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "P" "P" "Ru" "Ru" "C" "C" "O" "O" "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" 5.24760385 "source-unit" "angstrom" } "b" { "source-value" 6.56041154 "source-unit" "angstrom" } "c" { "source-value" 9.13315456 "source-unit" "angstrom" } "beta" { "source-value" 91.17812505 "source-unit" "degree" } }