{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.754388 0.25 ] [ 0 0.245612 0.75 ] [ 0.5 0.254388 0.25 ] [ 0.5 0.745612 0.75 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.873466 0.046179 ] [ 0 0.069073 0.25 ] [ 0.5 0.873466 0.453821 ] [ 0.5 0.126534 0.546179 ] [ 0 0.930927 0.75 ] [ 0.5 0.126534 0.953821 ] [ 0 0.373466 0.046179 ] [ 0.5 0.569073 0.25 ] [ 0 0.373466 0.453821 ] [ 0 0.626534 0.546179 ] [ 0.5 0.430927 0.75 ] [ 0 0.626534 0.953821 ] [ 0.5 0.963376 0.25 ] [ 0.5 0.036624 0.75 ] [ 0 0.463376 0.25 ] [ 0 0.536624 0.75 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "U" "U" "U" "U" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Au" "Au" "Au" "Au" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.42816249 "source-unit" "angstrom" } "b" { "source-value" 16.59347364 "source-unit" "angstrom" } "c" { "source-value" 11.42901873 "source-unit" "angstrom" } }