{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Imma" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.25 0.624921 ] [ 0 0.25 0.875079 ] [ 0 0.75 0.124921 ] [ 0.5 0.75 0.375079 ] [ 0 0.5 0.5 ] [ 0.75 0.25 0.25 ] [ 0 0 0.5 ] [ 0.75 0.75 0.75 ] [ 0.5 0 0 ] [ 0.25 0.75 0.75 ] [ 0.5 0.5 0 ] [ 0.25 0.25 0.25 ] [ 0.78291 0.25 0.475295 ] [ 0.5 0.953539 0.763841 ] [ 0.21709 0.25 0.475295 ] [ 0.5 0.546461 0.763841 ] [ 0 0.953539 0.736159 ] [ 0.28291 0.25 0.024705 ] [ 0.71709 0.25 0.024705 ] [ 0 0.546461 0.736159 ] [ 0.28291 0.75 0.975295 ] [ 0 0.453539 0.263841 ] [ 0.71709 0.75 0.975295 ] [ 0 0.046461 0.263841 ] [ 0.5 0.453539 0.236159 ] [ 0.78291 0.75 0.524705 ] [ 0.21709 0.75 0.524705 ] [ 0.5 0.046461 0.236159 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "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" 6.05522648 "source-unit" "angstrom" } "b" { "source-value" 6.1743833 "source-unit" "angstrom" } "c" { "source-value" 8.68835351 "source-unit" "angstrom" } }