{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm" } "basis-atom-coordinates" { "source-value" [ [ 0.916546 0.25145 0.789935 ] [ 0.916546 0.74855 0.789935 ] [ 0.82982 0 0.289829 ] [ 0.416546 0.75145 0.789935 ] [ 0.416546 0.24855 0.789935 ] [ 0.32982 0.5 0.289829 ] [ 0.342931 0 0.510446 ] [ 0.673736 0 0.004097 ] [ 0.842931 0.5 0.510446 ] [ 0.173736 0.5 0.004097 ] [ 0.167557 0 0.789267 ] [ 0.081843 0.252025 0.287661 ] [ 0.081843 0.747975 0.287661 ] [ 0.667557 0.5 0.789267 ] [ 0.581843 0.752025 0.287661 ] [ 0.581843 0.247975 0.287661 ] [ 0.919641 0.250443 0.398734 ] [ 0.474345 0 0.674753 ] [ 0.332637 0 0.901835 ] [ 0.999775 0 0.684958 ] [ 0.99805 0 0.179091 ] [ 0.919641 0.749557 0.398734 ] [ 0.266014 0.783515 0.662681 ] [ 0.266014 0.216485 0.662681 ] [ 0.835225 0 0.887399 ] [ 0.165191 0 0.400307 ] [ 0.736494 0.782633 0.163137 ] [ 0.736494 0.217367 0.163137 ] [ 0.664415 0 0.406256 ] [ 0.080157 0.25117 0.89679 ] [ 0.517089 0 0.158454 ] [ 0.080157 0.74883 0.89679 ] [ 0.419641 0.750443 0.398734 ] [ 0.974345 0.5 0.674753 ] [ 0.832637 0.5 0.901835 ] [ 0.499775 0.5 0.684958 ] [ 0.49805 0.5 0.179091 ] [ 0.419641 0.249557 0.398734 ] [ 0.766014 0.283515 0.662681 ] [ 0.766014 0.716485 0.662681 ] [ 0.335225 0.5 0.887399 ] [ 0.665191 0.5 0.400307 ] [ 0.236494 0.282633 0.163137 ] [ 0.236494 0.717367 0.163137 ] [ 0.164415 0.5 0.406256 ] [ 0.580157 0.75117 0.89679 ] [ 0.017089 0.5 0.158454 ] [ 0.580157 0.24883 0.89679 ] ] } "species" { "source-value" [ "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Fe" "Fe" "Fe" "Fe" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "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" 10.48340013 "source-unit" "angstrom" } "b" { "source-value" 6.07217025 "source-unit" "angstrom" } "c" { "source-value" 9.16643343 "source-unit" "angstrom" } "beta" { "source-value" 90.2095594 "source-unit" "degree" } }