{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.52082 0.866026 ] [ 0.25 0.47918 0.133974 ] [ 0.25 0.97918 0.366026 ] [ 0.75 0.02082 0.633974 ] [ 0.5 0 0 ] [ 0.5 0.5 0.5 ] [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.25 0.784417 0.745856 ] [ 0.75 0.715583 0.245856 ] [ 0.25 0.284417 0.754144 ] [ 0.75 0.215583 0.254144 ] [ 0.25 0.464151 0.49462 ] [ 0.75 0.535849 0.50538 ] [ 0.75 0.962712 0.331301 ] [ 0.47023 0.700405 0.593148 ] [ 0.25 0.964151 0.00538 ] [ 0.01292 0.632059 0.355265 ] [ 0.02977 0.200405 0.906852 ] [ 0.52977 0.299595 0.406852 ] [ 0.51292 0.867941 0.855265 ] [ 0.25 0.537288 0.831301 ] [ 0.98708 0.867941 0.855265 ] [ 0.51292 0.367941 0.644735 ] [ 0.47023 0.200405 0.906852 ] [ 0.97023 0.299595 0.406852 ] [ 0.25 0.037288 0.668699 ] [ 0.97023 0.799595 0.093148 ] [ 0.48708 0.632059 0.355265 ] [ 0.75 0.462712 0.168699 ] [ 0.75 0.035849 0.99462 ] [ 0.48708 0.132059 0.144735 ] [ 0.98708 0.367941 0.644735 ] [ 0.52977 0.799595 0.093148 ] [ 0.01292 0.132059 0.144735 ] [ 0.02977 0.700405 0.593148 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Al" "Al" "Al" "Al" "Ag" "Ag" "Ag" "Ag" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.34667604 "source-unit" "angstrom" } "b" { "source-value" 7.57565455 "source-unit" "angstrom" } "c" { "source-value" 10.5487011 "source-unit" "angstrom" } }