{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.662279 0.02535 ] [ 0.25 0.337721 0.97465 ] [ 0.75 0.162279 0.47465 ] [ 0.25 0.837721 0.52535 ] [ 0.993891 0.006519 0.769541 ] [ 0.493891 0.993481 0.230459 ] [ 0.506109 0.506519 0.730459 ] [ 0.006109 0.493481 0.269541 ] [ 0.006109 0.993481 0.230459 ] [ 0.506109 0.006519 0.769541 ] [ 0.493891 0.493481 0.269541 ] [ 0.993891 0.506519 0.730459 ] [ 0.75 0.170002 0.007558 ] [ 0.25 0.829998 0.992442 ] [ 0.75 0.670002 0.492442 ] [ 0.25 0.329998 0.507558 ] [ 0.75 0.832911 0.641268 ] [ 0.25 0.167089 0.358732 ] [ 0.75 0.332911 0.858732 ] [ 0.25 0.667089 0.141268 ] [ 0 0 0 ] [ 0.5 0 0 ] [ 0.5 0.5 0.5 ] [ 0 0.5 0.5 ] [ 0.75 0.293595 0.171127 ] [ 0.25 0.706405 0.828873 ] [ 0.75 0.793595 0.328873 ] [ 0.25 0.206405 0.671127 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Na" "Na" "Na" "Na" "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" 6.37008039 "source-unit" "angstrom" } "b" { "source-value" 6.62438262 "source-unit" "angstrom" } "c" { "source-value" 10.32274146 "source-unit" "angstrom" } }