{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0.520934 0.157886 0.715493 ] [ 0.479066 0.842114 0.284507 ] [ 0.020934 0.342114 0.215493 ] [ 0.979066 0.657886 0.784507 ] [ 0.556236 0.583983 0.24077 ] [ 0.443764 0.416017 0.75923 ] [ 0.684085 0.713789 0.914177 ] [ 0.815915 0.213789 0.585823 ] [ 0.056236 0.916017 0.74077 ] [ 0.80114 0.350969 0.005217 ] [ 0.69886 0.850969 0.494783 ] [ 0.19886 0.649031 0.994783 ] [ 0.30114 0.149031 0.505217 ] [ 0.315915 0.286211 0.085823 ] [ 0.184085 0.786211 0.414177 ] [ 0.943764 0.083983 0.25923 ] ] } "species" { "source-value" [ "Ge" "Ge" "Te" "Te" "Te" "Te" "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" 5.31228893475 "source-unit" "angstrom" } "b" { "source-value" 7.13230142 "source-unit" "angstrom" } "c" { "source-value" 7.47295888747 "source-unit" "angstrom" } "beta" { "source-value" 91.521506984 "source-unit" "degree" } }