{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pncn" } "basis-atom-coordinates" { "source-value" [ [ 0.990628 0.639577 0.081548 ] [ 0.490628 0.860423 0.418452 ] [ 0.009372 0.639577 0.418452 ] [ 0.509372 0.860423 0.081548 ] [ 0.990628 0.360423 0.581548 ] [ 0.009372 0.360423 0.918452 ] [ 0.5 0.932842 0.75 ] [ 0 0.567158 0.75 ] [ 0.5 0.067158 0.25 ] [ 0 0.432842 0.25 ] [ 0.25 0.75 0.247728 ] [ 0.75 0.75 0.252272 ] [ 0.75 0.25 0.752272 ] [ 0.25 0.25 0.747728 ] [ 0.509372 0.139577 0.581548 ] [ 0.490628 0.139577 0.918452 ] [ 0.509928 0.583781 0.611228 ] [ 0.009928 0.916219 0.888772 ] [ 0.490072 0.583781 0.888772 ] [ 0.990072 0.916219 0.611228 ] [ 0.490072 0.416219 0.388772 ] [ 0.990072 0.083781 0.111228 ] [ 0.509928 0.416219 0.111228 ] [ 0.009928 0.083781 0.388772 ] [ 0.630461 0.912966 0.615701 ] [ 0.130461 0.587034 0.884299 ] [ 0.369539 0.912966 0.884299 ] [ 0.869539 0.587034 0.615701 ] [ 0.369539 0.087034 0.384299 ] [ 0.869539 0.412966 0.115701 ] [ 0.630461 0.087034 0.115701 ] [ 0.130461 0.412966 0.384299 ] [ 0.456314 0.63013 0.042739 ] [ 0.956314 0.86987 0.457261 ] [ 0.456314 0.36987 0.542739 ] [ 0.956314 0.13013 0.957261 ] [ 0.543686 0.36987 0.957261 ] [ 0.043686 0.13013 0.542739 ] [ 0.5 0.56342 0.25 ] [ 0 0.93658 0.25 ] [ 0.5 0.43658 0.75 ] [ 0.043686 0.86987 0.042739 ] [ 0 0.06342 0.75 ] [ 0.543686 0.63013 0.457261 ] ] } "species" { "source-value" [ "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "O" "O" "O" "O" "O" "O" "O" "O" "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" 5.9809366 "source-unit" "angstrom" } "b" { "source-value" 8.77015958 "source-unit" "angstrom" } "c" { "source-value" 14.60488914 "source-unit" "angstrom" } }