{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0 0.417868 0.75 ] [ 0 0.744529 0.75 ] [ 0 0.255471 0.25 ] [ 0 0.582132 0.25 ] [ 0.5 0.917868 0.75 ] [ 0.5 0.244529 0.75 ] [ 0.5 0.755471 0.25 ] [ 0.5 0.082132 0.25 ] [ 0 0.090932 0.75 ] [ 0 0.909068 0.25 ] [ 0.5 0.590932 0.75 ] [ 0.5 0.409068 0.25 ] [ 0.78703 0.931803 0.498463 ] [ 0.78703 0.068197 0.998463 ] [ 0.75 0.25 0.5 ] [ 0.21297 0.068197 0.501537 ] [ 0.75 0.75 0 ] [ 0.21297 0.931803 0.001537 ] [ 0.28703 0.431803 0.498463 ] [ 0.28703 0.568197 0.998463 ] [ 0.25 0.75 0.5 ] [ 0.71297 0.568197 0.501537 ] [ 0.25 0.25 0 ] [ 0.71297 0.431803 0.001537 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Bi" "Bi" "Bi" "Bi" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.0631544 "source-unit" "angstrom" } "b" { "source-value" 10.0749029 "source-unit" "angstrom" } "c" { "source-value" 5.8809916 "source-unit" "angstrom" } "beta" { "source-value" 111.45566013 "source-unit" "degree" } }