{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.501074 0.250571 0.864952 ] [ 0.288142 0.720006 0.953865 ] [ 0.975317 0.750551 0.597 ] [ 0.711858 0.220006 0.546135 ] [ 0.498926 0.750571 0.635048 ] [ 0.140425 0.285013 0.209015 ] [ 0.288142 0.779994 0.453865 ] [ 0.140425 0.214987 0.709015 ] [ 0.501074 0.249429 0.364952 ] [ 0.024683 0.249449 0.403 ] [ 0.498926 0.749429 0.135048 ] [ 0.975317 0.749449 0.097 ] [ 0.711858 0.279994 0.046135 ] [ 0.859575 0.785013 0.290985 ] [ 0.024683 0.250551 0.903 ] [ 0.859575 0.714987 0.790985 ] [ 0.338705 0.741808 0.78931 ] [ 0.338705 0.758192 0.28931 ] [ 0.661295 0.258192 0.21069 ] [ 0.661295 0.241808 0.71069 ] [ 0.266947 0.215146 0.057099 ] [ 0.266947 0.284854 0.557099 ] [ 0.733053 0.715146 0.442901 ] [ 0.733053 0.784854 0.942901 ] [ 0.060916 0.16091 0.579132 ] [ 0.751719 0.414566 0.44297 ] [ 0.498132 0.487596 0.256198 ] [ 0.822624 0.279987 0.794599 ] [ 0.501868 0.987596 0.243802 ] [ 0.939084 0.66091 0.920868 ] [ 0.787777 0.468777 0.660576 ] [ 0.212223 0.968777 0.839424 ] [ 0.335787 0.302446 0.977991 ] [ 0.54942 0.790843 0.375407 ] [ 0.796764 0.509956 0.178357 ] [ 0.248281 0.914566 0.05703 ] [ 0.787777 0.031223 0.160576 ] [ 0.177376 0.720013 0.205401 ] [ 0.501868 0.512404 0.743802 ] [ 0.335787 0.197554 0.477991 ] [ 0.060916 0.33909 0.079132 ] [ 0.796764 0.990044 0.678357 ] [ 0.248281 0.585434 0.55703 ] [ 0.45058 0.290843 0.124593 ] [ 0.45058 0.209157 0.624593 ] [ 0.203236 0.009956 0.321643 ] [ 0.939084 0.83909 0.420868 ] [ 0.751719 0.085434 0.94297 ] [ 0.498132 0.012404 0.756198 ] [ 0.664213 0.802446 0.522009 ] [ 0.664213 0.697554 0.022009 ] [ 0.212223 0.531223 0.339424 ] [ 0.203236 0.490044 0.821643 ] [ 0.177376 0.779987 0.705401 ] [ 0.54942 0.709157 0.875407 ] [ 0.822624 0.220013 0.294599 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Nb" "Nb" "Nb" "Nb" "Al" "Al" "Al" "Al" "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" 7.25734057535 "source-unit" "angstrom" } "b" { "source-value" 5.89666907 "source-unit" "angstrom" } "c" { "source-value" 19.9345058291 "source-unit" "angstrom" } "beta" { "source-value" 97.5234701708 "source-unit" "degree" } }