{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2/c" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.037261 0.5 ] [ 0.75 0.962739 0.5 ] [ 0.25 0.99904 0 ] [ 0.75 0.00096 0 ] [ 0.008318 0.477149 0.19255 ] [ 0.491682 0.477149 0.80745 ] [ 0.508318 0.522851 0.19255 ] [ 0.991682 0.522851 0.80745 ] [ 0.682155 0.740745 0.182065 ] [ 0.502908 0.247468 0.066468 ] [ 0.997092 0.247468 0.933532 ] [ 0.483351 0.609757 0.641877 ] [ 0.83312 0.260636 0.182375 ] [ 0.983351 0.390243 0.641877 ] [ 0.33312 0.739364 0.182375 ] [ 0.317845 0.259255 0.817935 ] [ 0.002908 0.752532 0.066468 ] [ 0.66688 0.260636 0.817625 ] [ 0.016649 0.609757 0.358123 ] [ 0.16688 0.739364 0.817625 ] [ 0.817845 0.740745 0.817935 ] [ 0.516649 0.390243 0.358123 ] [ 0.182155 0.259255 0.182065 ] [ 0.497092 0.752532 0.933532 ] ] } "species" { "source-value" [ "Cs" "Cs" "Dy" "Dy" "Mo" "Mo" "Mo" "Mo" "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" 8.17890144037 "source-unit" "angstrom" } "b" { "source-value" 5.09539765 "source-unit" "angstrom" } "c" { "source-value" 9.77360297298 "source-unit" "angstrom" } "beta" { "source-value" 92.0020567599 "source-unit" "degree" } }