{ "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" [ [ 0.251529 0.073487 0.612815 ] [ 0.751893 0.261147 0.366107 ] [ 0.751893 0.238853 0.866107 ] [ 0.248107 0.738853 0.633893 ] [ 0.748471 0.926513 0.387185 ] [ 0.251529 0.426513 0.112815 ] [ 0.748471 0.573487 0.887185 ] [ 0.248107 0.761147 0.133893 ] [ 0.74485 0.601701 0.366046 ] [ 0.25515 0.101701 0.133954 ] [ 0.25515 0.398299 0.633954 ] [ 0.74485 0.898299 0.866046 ] [ 0.36079 0.613694 0.379976 ] [ 0.63921 0.113694 0.120024 ] [ 0.63921 0.386306 0.620024 ] [ 0.36079 0.886306 0.879976 ] [ 0.247804 0.978119 0.321767 ] [ 0.752196 0.478119 0.178233 ] [ 0.752196 0.021881 0.678233 ] [ 0.247804 0.521881 0.821767 ] [ 0.781172 0.743105 0.208416 ] [ 0.781172 0.756895 0.708416 ] [ 0.218828 0.256895 0.791584 ] [ 0.218828 0.243105 0.291584 ] ] } "species" { "source-value" [ "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "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" 4.97532789912 "source-unit" "angstrom" } "b" { "source-value" 10.77338433 "source-unit" "angstrom" } "c" { "source-value" 7.28447716162 "source-unit" "angstrom" } "beta" { "source-value" 91.3640113259 "source-unit" "degree" } }