{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.239577 0.75 0.082764 ] [ 0.751499 0.998665 0.260369 ] [ 0.751499 0.501335 0.260369 ] [ 0.248501 0.498665 0.739631 ] [ 0.248501 0.001335 0.739631 ] [ 0.760423 0.25 0.917236 ] [ 0.21771 0.25 0.362446 ] [ 0.78229 0.75 0.637554 ] [ 0.295693 0.75 0.414618 ] [ 0.704307 0.25 0.585382 ] [ 0.264159 0.25 0.06328 ] [ 0.735841 0.75 0.93672 ] [ 0.714281 0.75 0.081145 ] [ 0.037558 0.25 0.125504 ] [ 0.468591 0.25 0.147515 ] [ 0.218706 0.935391 0.320164 ] [ 0.218706 0.564609 0.320164 ] [ 0.59582 0.75 0.437846 ] [ 0.834404 0.25 0.429725 ] [ 0.165596 0.75 0.570275 ] [ 0.40418 0.25 0.562154 ] [ 0.781294 0.435391 0.679836 ] [ 0.781294 0.064609 0.679836 ] [ 0.531409 0.75 0.852485 ] [ 0.962442 0.75 0.874496 ] [ 0.285719 0.25 0.918855 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Zn" "Zn" "P" "P" "C" "C" "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" 5.1820313 "source-unit" "angstrom" } "b" { "source-value" 6.71962292 "source-unit" "angstrom" } "c" { "source-value" 8.97027897 "source-unit" "angstrom" } "beta" { "source-value" 90.02814969 "source-unit" "degree" } }