{ "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" [ [ 0.2723 0.25 0.363552 ] [ 0.7277 0.75 0.636448 ] [ 0.430797 0.75 0.104496 ] [ 0.569203 0.25 0.895504 ] [ 0.517357 0.25 0.63467 ] [ 0.364189 0.75 0.849244 ] [ 0.482643 0.75 0.36533 ] [ 0.830205 0.25 0.504372 ] [ 0.169795 0.75 0.495628 ] [ 0.039031 0.75 0.242281 ] [ 0.766175 0.75 0.911678 ] [ 0.960969 0.25 0.757719 ] [ 0.233825 0.25 0.088322 ] [ 0.635811 0.25 0.150756 ] ] } "species" { "source-value" [ "Nb" "Nb" "Cr" "Cr" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.50287964517 "source-unit" "angstrom" } "b" { "source-value" 3.54995878 "source-unit" "angstrom" } "c" { "source-value" 10.5109313262 "source-unit" "angstrom" } "beta" { "source-value" 116.156482877 "source-unit" "degree" } }