{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0.580113 0.066666 0.619489 ] [ 0.917041 0.937794 0.876508 ] [ 0.919887 0.433334 0.380511 ] [ 0.582959 0.437794 0.623492 ] [ 0.582959 0.562206 0.123492 ] [ 0.754117 0.852735 0.838939 ] [ 0.25 0.75 0.5 ] [ 0.919887 0.566666 0.880511 ] [ 0.745883 0.647265 0.161061 ] [ 0.745883 0.352735 0.661061 ] [ 0.75 0.75 0 ] [ 0.580113 0.933334 0.119489 ] [ 0.917041 0.062206 0.376508 ] [ 0.754117 0.147265 0.338939 ] [ 0.080113 0.566666 0.619489 ] [ 0.417041 0.437794 0.876508 ] [ 0.419887 0.933334 0.380511 ] [ 0.082959 0.937794 0.623492 ] [ 0.082959 0.062206 0.123492 ] [ 0.254117 0.352735 0.838939 ] [ 0.75 0.25 0.5 ] [ 0.419887 0.066666 0.880511 ] [ 0.245883 0.147265 0.161061 ] [ 0.245883 0.852735 0.661061 ] [ 0.25 0.25 0 ] [ 0.080113 0.433334 0.119489 ] [ 0.417041 0.562206 0.376508 ] [ 0.254117 0.647265 0.338939 ] [ 0.713229 0.748833 0.638071 ] [ 0.467642 0.75745 0.599715 ] [ 0.713229 0.251167 0.138071 ] [ 0.786771 0.248833 0.861929 ] [ 0.532358 0.75745 0.900285 ] [ 0.032358 0.74255 0.400285 ] [ 0.967642 0.74255 0.099715 ] [ 0.786771 0.751167 0.361929 ] [ 0.213229 0.248833 0.638071 ] [ 0.967642 0.25745 0.599715 ] [ 0.213229 0.751167 0.138071 ] [ 0.286771 0.748833 0.861929 ] [ 0.032358 0.25745 0.900285 ] [ 0.532358 0.24255 0.400285 ] [ 0.467642 0.24255 0.099715 ] [ 0.286771 0.251167 0.361929 ] [ 0.663953 0.564127 0.825065 ] [ 0.836047 0.064127 0.674935 ] [ 0.663953 0.435873 0.325065 ] [ 0.97711 0.237521 0.111038 ] [ 0.651378 0.990874 0.850005 ] [ 0.151378 0.509126 0.350005 ] [ 0.52289 0.262479 0.888962 ] [ 0.348622 0.990874 0.649995 ] [ 0.836047 0.935873 0.174935 ] [ 0.47711 0.262479 0.611038 ] [ 0.848622 0.509126 0.149995 ] [ 0.02289 0.237521 0.388962 ] [ 0.163953 0.064127 0.825065 ] [ 0.336047 0.564127 0.674935 ] [ 0.163953 0.935873 0.325065 ] [ 0.47711 0.737521 0.111038 ] [ 0.151378 0.490874 0.850005 ] [ 0.651378 0.009126 0.350005 ] [ 0.02289 0.762479 0.888962 ] [ 0.848622 0.490874 0.649995 ] [ 0.336047 0.435873 0.174935 ] [ 0.97711 0.762479 0.611038 ] [ 0.348622 0.009126 0.149995 ] [ 0.52289 0.737521 0.388962 ] [ 0.49117 0.610587 0.542732 ] [ 0.661992 0.718809 0.00756 ] [ 0.681207 0.454073 0.142068 ] [ 0.964107 0.571027 0.030536 ] [ 0.535893 0.928973 0.969464 ] [ 0.661992 0.281191 0.50756 ] [ 0.838008 0.218809 0.49244 ] [ 0.82631 0.745423 0.799153 ] [ 0.818793 0.045927 0.857932 ] [ 0.681207 0.545927 0.642068 ] [ 0.65839 0.13852 0.173086 ] [ 0.838008 0.781191 0.99244 ] [ 0.818793 0.954073 0.357932 ] [ 0.84161 0.36148 0.826914 ] [ 0.65839 0.86148 0.673086 ] [ 0.50883 0.610587 0.957268 ] [ 0.035893 0.571027 0.469464 ] [ 0.99117 0.889413 0.042732 ] [ 0.84161 0.63852 0.326914 ] [ 0.00883 0.889413 0.457268 ] [ 0.82631 0.254577 0.299153 ] [ 0.67369 0.754577 0.200847 ] [ 0.67369 0.245423 0.700847 ] [ 0.464107 0.928973 0.530536 ] [ 0.99117 0.110587 0.542732 ] [ 0.161992 0.218809 0.00756 ] [ 0.181207 0.954073 0.142068 ] [ 0.464107 0.071027 0.030536 ] [ 0.035893 0.428973 0.969464 ] [ 0.161992 0.781191 0.50756 ] [ 0.338008 0.718809 0.49244 ] [ 0.32631 0.245423 0.799153 ] [ 0.318793 0.545927 0.857932 ] [ 0.181207 0.045927 0.642068 ] [ 0.15839 0.63852 0.173086 ] [ 0.338008 0.281191 0.99244 ] [ 0.318793 0.454073 0.357932 ] [ 0.34161 0.86148 0.826914 ] [ 0.15839 0.36148 0.673086 ] [ 0.00883 0.110587 0.957268 ] [ 0.535893 0.071027 0.469464 ] [ 0.49117 0.389413 0.042732 ] [ 0.34161 0.13852 0.326914 ] [ 0.50883 0.389413 0.457268 ] [ 0.32631 0.754577 0.299153 ] [ 0.17369 0.254577 0.200847 ] [ 0.17369 0.745423 0.700847 ] [ 0.964107 0.428973 0.530536 ] ] } "species" { "source-value" [ "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "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" 20.8908311224 "source-unit" "angstrom" } "b" { "source-value" 8.64194971821 "source-unit" "angstrom" } "c" { "source-value" 17.4388205811 "source-unit" "angstrom" } "beta" { "source-value" 135.573836226 "source-unit" "degree" } }