{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmme" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0 0.658045 ] [ 0.75 0 0.341955 ] [ 0 0.75 0 ] [ 0.5 0.75 0 ] [ 0.75 0.5 0.658045 ] [ 0.25 0.5 0.341955 ] [ 0.5 0.25 0 ] [ 0 0.25 0 ] [ 0.5 0.75 0.5 ] [ 0 0.75 0.5 ] [ 0 0.25 0.5 ] [ 0.5 0.25 0.5 ] [ 0.25 0 0.166386 ] [ 0.75 0 0.833614 ] [ 0.75 0.5 0.166386 ] [ 0.25 0.5 0.833614 ] [ 0.75 0.143304 0.685427 ] [ 0.5 0 0 ] [ 0.75 0.856696 0.685427 ] [ 0.25 0.856696 0.314573 ] [ 0 0 0 ] [ 0.25 0.143304 0.314573 ] [ 0.25 0.643304 0.685427 ] [ 0 0.5 0 ] [ 0.25 0.356696 0.685427 ] [ 0.75 0.356696 0.314573 ] [ 0.5 0.5 0 ] [ 0.75 0.643304 0.314573 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "Na" "Na" "Na" "Na" "Fe" "Fe" "Fe" "Fe" "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" 6.36980024 "source-unit" "angstrom" } "b" { "source-value" 11.13441278 "source-unit" "angstrom" } "c" { "source-value" 6.76237723 "source-unit" "angstrom" } }