{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0 0.129675 0 ] [ 0 0.870325 0 ] [ 0.5 0.629675 0 ] [ 0.5 0.370325 0 ] [ 0.857957 0 0.70721 ] [ 0.142043 0 0.29279 ] [ 0.337023 0 0.128625 ] [ 0.662977 0 0.871375 ] [ 0.357957 0.5 0.70721 ] [ 0.642043 0.5 0.29279 ] [ 0.837023 0.5 0.128625 ] [ 0.162977 0.5 0.871375 ] [ 0.224506 0.207229 0.791931 ] [ 0.775494 0.207229 0.208069 ] [ 0.775494 0.792771 0.208069 ] [ 0.224506 0.792771 0.791931 ] [ 0.724506 0.707229 0.791931 ] [ 0.275494 0.707229 0.208069 ] [ 0.275494 0.292771 0.208069 ] [ 0.724506 0.292771 0.791931 ] ] } "species" { "source-value" [ "Nb" "Nb" "Nb" "Nb" "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" 6.37788605026 "source-unit" "angstrom" } "b" { "source-value" 11.21207502 "source-unit" "angstrom" } "c" { "source-value" 7.41377991647 "source-unit" "angstrom" } "beta" { "source-value" 110.069164871 "source-unit" "degree" } }