{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2" } "basis-atom-coordinates" { "source-value" [ [ 0.829978 0.001673 0.831887 ] [ 0.170022 0.001673 0.168113 ] [ 0 0.930935 0.5 ] [ 0.329978 0.501673 0.831887 ] [ 0.670022 0.501673 0.168113 ] [ 0.5 0.430935 0.5 ] [ 0.7962 0.223866 0.018508 ] [ 0.129162 0.215479 0.352238 ] [ 0 0.37822 0.5 ] [ 0.870838 0.215479 0.647762 ] [ 0.2038 0.223866 0.981492 ] [ 0.037657 0.717297 0.314562 ] [ 0.962343 0.717297 0.685438 ] [ 0.332889 0.055835 0.83433 ] [ 0.667111 0.055835 0.16567 ] [ 0.2962 0.723866 0.018508 ] [ 0.629162 0.715479 0.352238 ] [ 0.5 0.87822 0.5 ] [ 0.370838 0.715479 0.647762 ] [ 0.7038 0.723866 0.981492 ] [ 0.537657 0.217297 0.314562 ] [ 0.462343 0.217297 0.685438 ] [ 0.832889 0.555835 0.83433 ] [ 0.167111 0.555835 0.16567 ] [ 0.870078 0.779652 0.147752 ] [ 0.703165 0.153615 0.481527 ] [ 0.332994 0.938094 0.336734 ] [ 0 0.500812 0 ] [ 0.035355 0.279549 0.814565 ] [ 0.129922 0.779652 0.852248 ] [ 0.833805 0.995045 0.33024 ] [ 0.964645 0.279549 0.185435 ] [ 0 0.944589 0 ] [ 0.166195 0.995045 0.66976 ] [ 0.296835 0.153615 0.518473 ] [ 0.667006 0.938094 0.663266 ] [ 0.370078 0.279652 0.147752 ] [ 0.203165 0.653615 0.481527 ] [ 0.832994 0.438094 0.336734 ] [ 0.5 0.000812 0 ] [ 0.535355 0.779549 0.814565 ] [ 0.629922 0.279652 0.852248 ] [ 0.333805 0.495045 0.33024 ] [ 0.464645 0.779549 0.185435 ] [ 0.5 0.444589 0 ] [ 0.666195 0.495045 0.66976 ] [ 0.796835 0.653615 0.518473 ] [ 0.167006 0.438094 0.663266 ] [ 0.706073 0.070368 0.284146 ] [ 0.861104 0.876392 0.957771 ] [ 0.038235 0.36308 0.617674 ] [ 0.159694 0.204842 0.86356 ] [ 0.976185 0.424211 0.174383 ] [ 0.266489 0.203534 0.092302 ] [ 0.968046 0.062595 0.376657 ] [ 0.307367 0.009169 0.506127 ] [ 0.375472 0.075205 0.950733 ] [ 0.624528 0.075205 0.049267 ] [ 0.860621 0.92471 0.158621 ] [ 0.023815 0.424211 0.825617 ] [ 0.00769 0.703331 0.80286 ] [ 0.733511 0.203534 0.907698 ] [ 0.664575 0.086283 0.667779 ] [ 0.692633 0.009169 0.493873 ] [ 0.068181 0.203506 0.240935 ] [ 0.139379 0.92471 0.841379 ] [ 0.901218 0.72833 0.574206 ] [ 0 0.352549 0 ] [ 0.825894 0.230568 0.530241 ] [ 0.801775 0.870449 0.709126 ] [ 0.138896 0.876392 0.042229 ] [ 0.174106 0.230568 0.469759 ] [ 0.293927 0.070368 0.715854 ] [ 0.168723 0.846751 0.66564 ] [ 0.831277 0.846751 0.33436 ] [ 0.031954 0.062595 0.623343 ] [ 0.098782 0.72833 0.425794 ] [ 0.99231 0.703331 0.19714 ] [ 0.335425 0.086283 0.332221 ] [ 0.198225 0.870449 0.290874 ] [ 0 0.092849 0 ] [ 0.961765 0.36308 0.382326 ] [ 0.931819 0.203506 0.759065 ] [ 0.840306 0.204842 0.13644 ] [ 0.206073 0.570368 0.284146 ] [ 0.361104 0.376392 0.957771 ] [ 0.538235 0.86308 0.617674 ] [ 0.659694 0.704842 0.86356 ] [ 0.476185 0.924211 0.174383 ] [ 0.766489 0.703534 0.092302 ] [ 0.468046 0.562595 0.376657 ] [ 0.807367 0.509169 0.506127 ] [ 0.875472 0.575205 0.950733 ] [ 0.124528 0.575205 0.049267 ] [ 0.360621 0.42471 0.158621 ] [ 0.523815 0.924211 0.825617 ] [ 0.50769 0.203331 0.80286 ] [ 0.233511 0.703534 0.907698 ] [ 0.164575 0.586283 0.667779 ] [ 0.192633 0.509169 0.493873 ] [ 0.568181 0.703506 0.240935 ] [ 0.639379 0.42471 0.841379 ] [ 0.401218 0.22833 0.574206 ] [ 0.5 0.852549 0 ] [ 0.325894 0.730568 0.530241 ] [ 0.301775 0.370449 0.709126 ] [ 0.638896 0.376392 0.042229 ] [ 0.674106 0.730568 0.469759 ] [ 0.793927 0.570368 0.715854 ] [ 0.668723 0.346751 0.66564 ] [ 0.331277 0.346751 0.33436 ] [ 0.531954 0.562595 0.623343 ] [ 0.598782 0.22833 0.425794 ] [ 0.49231 0.203331 0.19714 ] [ 0.835425 0.586283 0.332221 ] [ 0.698225 0.370449 0.290874 ] [ 0.5 0.592849 0 ] [ 0.461765 0.86308 0.382326 ] [ 0.431819 0.703506 0.759065 ] [ 0.340306 0.704842 0.13644 ] ] } "species" { "source-value" [ "Gd" "Gd" "Gd" "Gd" "Gd" "Gd" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 7.29211433713 "source-unit" "angstrom" } "b" { "source-value" 9.3929794517 "source-unit" "angstrom" } "c" { "source-value" 16.3400030643 "source-unit" "angstrom" } "beta" { "source-value" 90.7050381088 "source-unit" "degree" } }