{ "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 0.557243 0.172533 ] [ 0.25 0.442757 0.827467 ] [ 0.75 0.057243 0.327467 ] [ 0.25 0.942757 0.672533 ] [ 0.75 0.843078 0.946438 ] [ 0.25 0.156922 0.053562 ] [ 0.75 0.343078 0.553562 ] [ 0.25 0.656922 0.446438 ] [ 0.75 0.819712 0.502196 ] [ 0.25 0.180288 0.497804 ] [ 0.75 0.319712 0.997804 ] [ 0.25 0.680288 0.002196 ] [ 0.75 0.727722 0.796893 ] [ 0.25 0.272278 0.203107 ] [ 0.75 0.227722 0.703107 ] [ 0.25 0.772278 0.296893 ] [ 0.75 0.978487 0.098134 ] [ 0.25 0.021513 0.901866 ] [ 0.75 0.478487 0.401866 ] [ 0.25 0.521513 0.598134 ] ] } "species" { "source-value" [ "Tl" "Tl" "Tl" "Tl" "Fe" "Fe" "Fe" "Fe" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.98478675 "source-unit" "angstrom" } "b" { "source-value" 9.4284817 "source-unit" "angstrom" } "c" { "source-value" 15.38290743 "source-unit" "angstrom" } }