{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.353858 0.061548 ] [ 0 0.353858 0.438452 ] [ 0 0.646142 0.561548 ] [ 0 0.683729 0.25 ] [ 0 0.316271 0.75 ] [ 0 0.646142 0.938452 ] [ 0.5 0.853858 0.061548 ] [ 0.5 0.853858 0.438452 ] [ 0.5 0.146142 0.561548 ] [ 0.5 0.183729 0.25 ] [ 0.5 0.816271 0.75 ] [ 0.5 0.146142 0.938452 ] [ 0 0 0 ] [ 0 0.067762 0.25 ] [ 0 0 0.5 ] [ 0 0.932238 0.75 ] [ 0.5 0.5 0 ] [ 0.5 0.567762 0.25 ] [ 0.5 0.5 0.5 ] [ 0.5 0.432238 0.75 ] [ 0.221291 0.081235 0.114133 ] [ 0.221291 0.081235 0.385867 ] [ 0.221291 0.918765 0.885867 ] [ 0.221291 0.918765 0.614133 ] [ 0.778709 0.081235 0.385867 ] [ 0.778709 0.081235 0.114133 ] [ 0.778709 0.918765 0.614133 ] [ 0.778709 0.918765 0.885867 ] [ 0.721291 0.581235 0.114133 ] [ 0.721291 0.581235 0.385867 ] [ 0.721291 0.418765 0.885867 ] [ 0.721291 0.418765 0.614133 ] [ 0.278709 0.581235 0.385867 ] [ 0.278709 0.581235 0.114133 ] [ 0.278709 0.418765 0.614133 ] [ 0.278709 0.418765 0.885867 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "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" 5.7447324 "source-unit" "angstrom" } "b" { "source-value" 8.1029915 "source-unit" "angstrom" } "c" { "source-value" 10.53434944 "source-unit" "angstrom" } }