{ "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 0.601225 0.25 ] [ 0 0.398775 0.75 ] [ 0.183142 0.924925 0.37969 ] [ 0.816858 0.924925 0.12031 ] [ 0.816858 0.075075 0.62031 ] [ 0.183142 0.075075 0.87969 ] [ 0.5 0.101225 0.25 ] [ 0.5 0.898775 0.75 ] [ 0.683142 0.424925 0.37969 ] [ 0.316858 0.424925 0.12031 ] [ 0.316858 0.575075 0.62031 ] [ 0.683142 0.575075 0.87969 ] [ 0 0.80841 0.75 ] [ 0 0.19159 0.25 ] [ 0.5 0.30841 0.75 ] [ 0.5 0.69159 0.25 ] [ 0.25 0.75 0 ] [ 0.25 0.25 0.5 ] [ 0.75 0.25 0 ] [ 0.75 0.75 0.5 ] [ 0.942381 0.84048 0.463205 ] [ 0.057619 0.84048 0.036795 ] [ 0.057619 0.15952 0.536795 ] [ 0.942381 0.15952 0.963205 ] [ 0.787559 0.81711 0.782852 ] [ 0.212441 0.81711 0.717148 ] [ 0.212441 0.18289 0.217148 ] [ 0.787559 0.18289 0.282852 ] [ 0.353313 0.075147 0.57009 ] [ 0.646687 0.075147 0.92991 ] [ 0.646687 0.924853 0.42991 ] [ 0.353313 0.924853 0.07009 ] [ 0.442381 0.34048 0.463205 ] [ 0.557619 0.34048 0.036795 ] [ 0.557619 0.65952 0.536795 ] [ 0.442381 0.65952 0.963205 ] [ 0.287559 0.31711 0.782852 ] [ 0.712441 0.31711 0.717148 ] [ 0.712441 0.68289 0.217148 ] [ 0.287559 0.68289 0.282852 ] [ 0.853313 0.575147 0.57009 ] [ 0.146687 0.575147 0.92991 ] [ 0.146687 0.424853 0.42991 ] [ 0.853313 0.424853 0.07009 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Cu" "Cu" "Cu" "Cu" "Ir" "Ir" "Ir" "Ir" "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" 9.46036300264 "source-unit" "angstrom" } "b" { "source-value" 9.78087858111 "source-unit" "angstrom" } "c" { "source-value" 6.76741241958 "source-unit" "angstrom" } "beta" { "source-value" 91.0501606326 "source-unit" "degree" } }