{ "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" [ [ 0.25 0.513581 0.803781 ] [ 0.75 0.486419 0.196219 ] [ 0.25 0.013581 0.696219 ] [ 0.75 0.986419 0.303781 ] [ 0.25 0.836706 0.085082 ] [ 0.75 0.163294 0.914918 ] [ 0.75 0.663294 0.585082 ] [ 0.25 0.336706 0.414918 ] [ 0.25 0.26994 0.077742 ] [ 0.75 0.73006 0.922258 ] [ 0.25 0.76994 0.422258 ] [ 0.75 0.23006 0.577742 ] [ 0.978652 0.80678 0.850741 ] [ 0.478652 0.19322 0.149259 ] [ 0.521348 0.30678 0.649259 ] [ 0.021348 0.69322 0.350741 ] [ 0.021348 0.19322 0.149259 ] [ 0.521348 0.80678 0.850741 ] [ 0.478652 0.69322 0.350741 ] [ 0.978652 0.30678 0.649259 ] [ 0.25 0.201182 0.927386 ] [ 0.75 0.798818 0.072614 ] [ 0.25 0.701182 0.572614 ] [ 0.75 0.298818 0.427386 ] [ 0.75 0.01801 0.583302 ] [ 0.25 0.98199 0.416698 ] [ 0.25 0.48199 0.083302 ] [ 0.75 0.51801 0.916698 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "Fe" "Fe" "Fe" "Fe" "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" 5.9395735 "source-unit" "angstrom" } "b" { "source-value" 7.79707035 "source-unit" "angstrom" } "c" { "source-value" 10.50771148 "source-unit" "angstrom" } }