{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnma" } "basis-atom-coordinates" { "source-value" [ [ 0.777757 0.75 0.088 ] [ 0.361709 0.497105 0.141745 ] [ 0.361709 0.002895 0.141745 ] [ 0.861709 0.502895 0.358255 ] [ 0.861709 0.997105 0.358255 ] [ 0.277757 0.25 0.412 ] [ 0.722243 0.75 0.588 ] [ 0.138291 0.002895 0.641745 ] [ 0.138291 0.497105 0.641745 ] [ 0.638291 0.502895 0.858255 ] [ 0.638291 0.997105 0.858255 ] [ 0.222243 0.25 0.912 ] [ 0.850127 0.25 0.114676 ] [ 0.350127 0.75 0.385324 ] [ 0.649873 0.25 0.614676 ] [ 0.149873 0.75 0.885324 ] [ 0.593189 0.25 0.016106 ] [ 0.090839 0.25 0.2251 ] [ 0.590839 0.75 0.2749 ] [ 0.093189 0.75 0.483894 ] [ 0.906811 0.25 0.516106 ] [ 0.409161 0.25 0.7251 ] [ 0.909161 0.75 0.7749 ] [ 0.406811 0.75 0.983894 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Ni" "Ni" "Ni" "Ni" "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" 5.54067241 "source-unit" "angstrom" } "b" { "source-value" 6.30710588 "source-unit" "angstrom" } "c" { "source-value" 10.82070877 "source-unit" "angstrom" } }