{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.06077 0.25 ] [ 0 0.93923 0.75 ] [ 0.5 0.56077 0.25 ] [ 0.5 0.43923 0.75 ] [ 0 0.807886 0.408856 ] [ 0 0.807886 0.091144 ] [ 0 0.192114 0.591144 ] [ 0 0.192114 0.908856 ] [ 0.5 0.307886 0.408856 ] [ 0.5 0.307886 0.091144 ] [ 0.5 0.692114 0.591144 ] [ 0.5 0.692114 0.908856 ] [ 0.5 0.915662 0.530203 ] [ 0.5 0.084338 0.469797 ] [ 0.5 0.158295 0.75 ] [ 0.5 0.841705 0.25 ] [ 0.5 0.915662 0.969797 ] [ 0.5 0.084338 0.030203 ] [ 0 0.415662 0.530203 ] [ 0 0.584338 0.469797 ] [ 0 0.658295 0.75 ] [ 0 0.341705 0.25 ] [ 0 0.415662 0.969797 ] [ 0 0.584338 0.030203 ] [ 0.5 0.060681 0.887955 ] [ 0 0.16769 0.070104 ] [ 0.5 0.060681 0.612045 ] [ 0 0.83231 0.570104 ] [ 0 0.16769 0.429896 ] [ 0 0.83231 0.929896 ] [ 0 0.237885 0.75 ] [ 0 0.762115 0.25 ] [ 0.5 0.939319 0.387955 ] [ 0.5 0.939319 0.112045 ] [ 0 0.560681 0.887955 ] [ 0.5 0.66769 0.070104 ] [ 0 0.560681 0.612045 ] [ 0.5 0.33231 0.570104 ] [ 0.5 0.66769 0.429896 ] [ 0.5 0.33231 0.929896 ] [ 0.5 0.737885 0.75 ] [ 0.5 0.262115 0.25 ] [ 0 0.439319 0.387955 ] [ 0 0.439319 0.112045 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "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" 4.13959568 "source-unit" "angstrom" } "b" { "source-value" 14.69679044 "source-unit" "angstrom" } "c" { "source-value" 17.43124532 "source-unit" "angstrom" } }