{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.601883 0.039559 ] [ 0.75 0.398117 0.960441 ] [ 0.25 0.101883 0.460441 ] [ 0.75 0.898117 0.539559 ] [ 0.25 0.209861 0.866897 ] [ 0.75 0.790139 0.133103 ] [ 0.75 0.290139 0.366897 ] [ 0.25 0.709861 0.633103 ] [ 0.75 0.562987 0.683246 ] [ 0.75 0.062987 0.816754 ] [ 0.25 0.437013 0.316754 ] [ 0.25 0.937013 0.183246 ] [ 0.928122 0.639727 0.067521 ] [ 0.428122 0.360273 0.932479 ] [ 0.571878 0.139727 0.432479 ] [ 0.071878 0.860273 0.567521 ] [ 0.071878 0.360273 0.932479 ] [ 0.571878 0.639727 0.067521 ] [ 0.428122 0.860273 0.567521 ] [ 0.75 0.749073 0.323215 ] [ 0.25 0.750927 0.823215 ] [ 0.75 0.249073 0.176785 ] [ 0.25 0.250927 0.676785 ] [ 0.928122 0.139727 0.432479 ] ] } "species" { "source-value" [ "Er" "Er" "Er" "Er" "Se" "Se" "Se" "Se" "Cl" "Cl" "Cl" "Cl" "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" 6.9610356 "source-unit" "angstrom" } "b" { "source-value" 7.30294152 "source-unit" "angstrom" } "c" { "source-value" 8.80097443 "source-unit" "angstrom" } }