{ "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" [ [ 0.48086 0.75 0.280124 ] [ 0.51914 0.25 0.719876 ] [ 0.05179 0.08225 0.330392 ] [ 0.94821 0.58225 0.669608 ] [ 0.94821 0.91775 0.669608 ] [ 0.972994 0.75 0.94807 ] [ 0.027006 0.25 0.05193 ] [ 0.05179 0.41775 0.330392 ] [ 0.926852 0.429139 0.137611 ] [ 0.683873 0.75 0.674693 ] [ 0.632622 0.75 0.832493 ] [ 0.073148 0.570861 0.862389 ] [ 0.316127 0.25 0.325307 ] [ 0.882529 0.25 0.395114 ] [ 0.367378 0.25 0.167507 ] [ 0.117471 0.75 0.604886 ] [ 0.926852 0.070861 0.137611 ] [ 0.073148 0.929139 0.862389 ] [ 0.48297 0.25 0.893912 ] [ 0.154658 0.75 0.278137 ] [ 0.51703 0.75 0.106088 ] [ 0.845342 0.25 0.721863 ] [ 0.620505 0.924546 0.372042 ] [ 0.620505 0.575454 0.372042 ] [ 0.379495 0.075454 0.627958 ] [ 0.379495 0.424546 0.627958 ] ] } "species" { "source-value" [ "Al" "Al" "As" "As" "As" "As" "As" "As" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.62791029896 "source-unit" "angstrom" } "b" { "source-value" 10.19334565 "source-unit" "angstrom" } "c" { "source-value" 11.9537158739 "source-unit" "angstrom" } "beta" { "source-value" 104.243467648 "source-unit" "degree" } }