{ "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" [ [ 0.067248 0.25 0.946755 ] [ 0.932752 0.75 0.053245 ] [ 0.438508 0.557904 0.667771 ] [ 0.561492 0.057904 0.332229 ] [ 0.561492 0.442096 0.332229 ] [ 0.438508 0.942096 0.667771 ] [ 0.082325 0.25 0.437827 ] [ 0.917675 0.75 0.562173 ] [ 0.113707 0.604469 0.700934 ] [ 0.886293 0.104469 0.299066 ] [ 0.886293 0.395531 0.299066 ] [ 0.113707 0.895531 0.700934 ] [ 0.437195 0.55159 0.185346 ] [ 0.562805 0.05159 0.814654 ] [ 0.562805 0.44841 0.814654 ] [ 0.437195 0.94841 0.185346 ] [ 0.085598 0.75 0.413732 ] [ 0.914402 0.25 0.586268 ] [ 0.577327 0.75 0.732446 ] [ 0.422673 0.25 0.267554 ] [ 0.671789 0.909949 0.502356 ] [ 0.328211 0.409949 0.497644 ] [ 0.328211 0.090051 0.497644 ] [ 0.671789 0.590051 0.502356 ] ] } "species" { "source-value" [ "Cs" "Cs" "V" "V" "V" "V" "V" "V" "O" "O" "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" 5.15318176 "source-unit" "angstrom" } "b" { "source-value" 8.7730115 "source-unit" "angstrom" } "c" { "source-value" 8.51047626 "source-unit" "angstrom" } "beta" { "source-value" 97.77477646 "source-unit" "degree" } }