{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.969236 0 0.736103 ] [ 0.199696 0 0.807013 ] [ 0.094963 0.5 0.963816 ] [ 0.832796 0.5 0.532046 ] [ 0.167204 0.5 0.467954 ] [ 0.905037 0.5 0.036184 ] [ 0.030764 0 0.263897 ] [ 0.800304 0 0.192987 ] [ 0.469236 0.5 0.736103 ] [ 0.699696 0.5 0.807013 ] [ 0.594963 0 0.963816 ] [ 0.332796 0 0.532046 ] [ 0.667204 0 0.467954 ] [ 0.405037 0 0.036184 ] [ 0.530764 0.5 0.263897 ] [ 0.300304 0.5 0.192987 ] [ 0.188365 0 0.206775 ] [ 0 0.5 0.5 ] [ 0.811635 0 0.793225 ] [ 0.688365 0.5 0.206775 ] [ 0.5 0 0.5 ] [ 0.311635 0.5 0.793225 ] [ 0.223528 0.5 0.828826 ] [ 0.026526 0.5 0.280558 ] [ 0.973474 0.5 0.719442 ] [ 0.891314 0 0.98327 ] [ 0.108686 0 0.01673 ] [ 0.776472 0.5 0.171174 ] [ 0.178523 0 0.4306 ] [ 0.821477 0 0.5694 ] [ 0.723528 0 0.828826 ] [ 0.526526 0 0.280558 ] [ 0.473474 0 0.719442 ] [ 0.391314 0.5 0.98327 ] [ 0.608686 0.5 0.01673 ] [ 0.276472 0 0.171174 ] [ 0.678523 0.5 0.4306 ] [ 0.321477 0.5 0.5694 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 18.8459443992 "source-unit" "angstrom" } "b" { "source-value" 5.35799328713 "source-unit" "angstrom" } "c" { "source-value" 7.49106349403 "source-unit" "angstrom" } "beta" { "source-value" 105.92225931 "source-unit" "degree" } }