{ "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 0.746193 0 ] [ 0 0.253807 0 ] [ 0.5 0.246193 0 ] [ 0.5 0.753807 0 ] [ 0.937131 0 0.581669 ] [ 0.062869 0 0.418331 ] [ 0.437131 0.5 0.581669 ] [ 0.562869 0.5 0.418331 ] [ 0.319399 0 0.648287 ] [ 0.680601 0 0.351713 ] [ 0 0.785841 0.5 ] [ 0.5 0.714159 0.5 ] [ 0.887071 0 0.055144 ] [ 0.112929 0 0.944856 ] [ 0.819399 0.5 0.648287 ] [ 0.180601 0.5 0.351713 ] [ 0.5 0.285841 0.5 ] [ 0 0.214159 0.5 ] [ 0.387071 0.5 0.055144 ] [ 0.612929 0.5 0.944856 ] ] } "species" { "source-value" [ "Ag" "Ag" "Ag" "Ag" "P" "P" "P" "P" "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" 12.685696367 "source-unit" "angstrom" } "b" { "source-value" 7.28968184934 "source-unit" "angstrom" } "c" { "source-value" 9.05300429259 "source-unit" "angstrom" } "beta" { "source-value" 143.179084796 "source-unit" "degree" } }