{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-43m" } "basis-atom-coordinates" { "source-value" [ [ 0.340826 0.659174 0.340826 ] [ 0.659174 0.659174 0.659174 ] [ 0 0 0.5 ] [ 0.659174 0.340826 0.340826 ] [ 0.5 0.5 0 ] [ 0.340826 0.340826 0.659174 ] [ 0 0.5 0.5 ] [ 0 0.5 0 ] [ 0.5 0 0.5 ] [ 0.5 0 0 ] [ 0.867463 0.867463 0.867463 ] [ 0.132537 0.867463 0.132537 ] [ 0.867463 0.132537 0.132537 ] [ 0.132537 0.132537 0.867463 ] [ 0.780186 0.780186 0.219814 ] [ 0.219814 0.219814 0.219814 ] [ 0.780186 0.219814 0.780186 ] [ 0.219814 0.780186 0.780186 ] [ 0.260366 0.999762 0.260366 ] [ 0.346348 0.653652 0.653652 ] [ 0.999762 0.739634 0.739634 ] [ 0.739634 0.999762 0.739634 ] [ 0.000238 0.260366 0.739634 ] [ 0.999762 0.260366 0.260366 ] [ 0.260366 0.260366 0.999762 ] [ 0.653652 0.653652 0.346348 ] [ 0.739634 0.260366 0.000238 ] [ 0.739634 0.739634 0.999762 ] [ 0.260366 0.000238 0.739634 ] [ 0.653652 0.346348 0.653652 ] [ 0.346348 0.346348 0.346348 ] [ 0.000238 0.739634 0.260366 ] [ 0.739634 0.000238 0.260366 ] [ 0.260366 0.739634 0.000238 ] [ 0 0 0 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Be" "Be" "Be" "Be" "Si" "Si" "Si" "Si" "O" "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" 7.35005412 "source-unit" "angstrom" } }