{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnam" } "basis-atom-coordinates" { "source-value" [ [ 0.372129 0.583204 0.25 ] [ 0.127871 0.083204 0.75 ] [ 0.627871 0.416796 0.75 ] [ 0.872129 0.916796 0.25 ] [ 0.940804 0.708307 0.548121 ] [ 0.440804 0.791693 0.951879 ] [ 0.559196 0.208307 0.451879 ] [ 0.059196 0.291693 0.048121 ] [ 0.059196 0.291693 0.451879 ] [ 0.559196 0.208307 0.048121 ] [ 0.440804 0.791693 0.548121 ] [ 0.940804 0.708307 0.951879 ] [ 0.21313 0.513628 0.75 ] [ 0.71313 0.986372 0.75 ] [ 0.28687 0.013628 0.25 ] [ 0.78687 0.486372 0.25 ] [ 0.335278 0.447618 0.573705 ] [ 0.664722 0.552382 0.073705 ] [ 0.835278 0.052382 0.926295 ] [ 0.164722 0.947618 0.426295 ] [ 0.013249 0.587192 0.25 ] [ 0.513249 0.912808 0.25 ] [ 0.486751 0.087192 0.75 ] [ 0.986751 0.412808 0.75 ] [ 0.810813 0.24289 0.25 ] [ 0.310813 0.25711 0.25 ] [ 0.689187 0.74289 0.75 ] [ 0.189187 0.75711 0.75 ] [ 0.664722 0.552382 0.426295 ] [ 0.164722 0.947618 0.073705 ] [ 0.835278 0.052382 0.573705 ] [ 0.335278 0.447618 0.926295 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "Nb" "Nb" "Nb" "Nb" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.77072768 "source-unit" "angstrom" } "b" { "source-value" 9.90930182 "source-unit" "angstrom" } "c" { "source-value" 11.34190524 "source-unit" "angstrom" } }