{ "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 0.31396 0.75 ] [ 0 0.68604 0.25 ] [ 0.5 0.81396 0.75 ] [ 0.5 0.18604 0.25 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0 0.33568 0.25 ] [ 0 0.66432 0.75 ] [ 0.5 0.83568 0.25 ] [ 0.5 0.16432 0.75 ] [ 0.266879 0.942692 0.25 ] [ 0.266879 0.057308 0.75 ] [ 0 0.230582 0.069058 ] [ 0 0.230582 0.430942 ] [ 0 0.769418 0.569058 ] [ 0 0.769418 0.930942 ] [ 0.733121 0.942692 0.25 ] [ 0.733121 0.057308 0.75 ] [ 0.766879 0.442692 0.25 ] [ 0.766879 0.557308 0.75 ] [ 0.5 0.730582 0.069058 ] [ 0.5 0.730582 0.430942 ] [ 0.5 0.269418 0.569058 ] [ 0.5 0.269418 0.930942 ] [ 0.233121 0.442692 0.25 ] [ 0.233121 0.557308 0.75 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Fe" "Fe" "Fe" "Fe" "P" "P" "P" "P" "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" 5.48973394 "source-unit" "angstrom" } "b" { "source-value" 8.5305138 "source-unit" "angstrom" } "c" { "source-value" 6.94189304 "source-unit" "angstrom" } }