{ "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" [ [ 0.393895 0.084626 0.693142 ] [ 0.106105 0.584626 0.806858 ] [ 0.606105 0.915374 0.306858 ] [ 0.893895 0.415374 0.193142 ] [ 0.523994 0.410391 0.614913 ] [ 0.976006 0.910391 0.885087 ] [ 0.476006 0.589609 0.385087 ] [ 0.023994 0.089609 0.114913 ] [ 0.93797 0.382205 0.618897 ] [ 0.56203 0.882205 0.881103 ] [ 0.06203 0.617795 0.381103 ] [ 0.43797 0.117795 0.118897 ] [ 0.00279 0.280389 0.738402 ] [ 0.49721 0.780389 0.761598 ] [ 0.99721 0.719611 0.261598 ] [ 0.50279 0.219611 0.238402 ] [ 0.981114 0.066085 0.873496 ] [ 0.518886 0.566085 0.626504 ] [ 0.018886 0.933915 0.126504 ] [ 0.481114 0.433915 0.373496 ] [ 0.109883 0.06928 0.36173 ] [ 0.390117 0.56928 0.13827 ] [ 0.890117 0.93072 0.63827 ] [ 0.609883 0.43072 0.86173 ] [ 0.00685 0.185197 0.418601 ] [ 0.49315 0.685197 0.081399 ] [ 0.99315 0.814803 0.581399 ] [ 0.50685 0.314803 0.918601 ] [ 0.666674 0.175967 0.409287 ] [ 0.833326 0.675967 0.090713 ] [ 0.333326 0.824033 0.590713 ] [ 0.166674 0.324033 0.909287 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Sb" "Sb" "Sb" "Sb" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.14432436937 "source-unit" "angstrom" } "b" { "source-value" 15.50597743 "source-unit" "angstrom" } "c" { "source-value" 11.3389289266 "source-unit" "angstrom" } "beta" { "source-value" 103.529913085 "source-unit" "degree" } }