{ "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" [ [ 0.333993 0.875385 0.405887 ] [ 0.333993 0.124615 0.905887 ] [ 0.166007 0.375385 0.094113 ] [ 0.166007 0.624615 0.594113 ] [ 0.833993 0.375385 0.405887 ] [ 0.833993 0.624615 0.905887 ] [ 0.666007 0.875385 0.094113 ] [ 0.666007 0.124615 0.594113 ] [ 0.146563 0.892389 0.048163 ] [ 0.146563 0.107611 0.548163 ] [ 0.5 0.131068 0.25 ] [ 0 0.368932 0.75 ] [ 0.353437 0.392389 0.451837 ] [ 0.353437 0.607611 0.951837 ] [ 0.646563 0.392389 0.048163 ] [ 0.646563 0.607611 0.548163 ] [ 0 0.631068 0.25 ] [ 0.5 0.868932 0.75 ] [ 0.853437 0.892389 0.451837 ] [ 0.853437 0.107611 0.951837 ] [ 0.225911 0.820022 0.199352 ] [ 0.327964 0.038604 0.277684 ] [ 0.369586 0.209129 0.106818 ] [ 0.049919 0.217141 0.437164 ] [ 0.368112 0.947124 0.0365 ] [ 0.066115 0.960122 0.425371 ] [ 0.225911 0.179978 0.699352 ] [ 0.433885 0.460122 0.074629 ] [ 0.131888 0.447124 0.4635 ] [ 0.950081 0.217141 0.062836 ] [ 0.630414 0.209129 0.393182 ] [ 0.327964 0.961396 0.777684 ] [ 0.172036 0.538604 0.222316 ] [ 0.869586 0.290871 0.606818 ] [ 0.549919 0.282859 0.937164 ] [ 0.368112 0.052876 0.5365 ] [ 0.066115 0.039878 0.925371 ] [ 0.274089 0.320022 0.300648 ] [ 0.433885 0.539878 0.574629 ] [ 0.131888 0.552876 0.9635 ] [ 0.450081 0.282859 0.562836 ] [ 0.130414 0.290871 0.893182 ] [ 0.172036 0.461396 0.722316 ] [ 0.274089 0.679978 0.800648 ] [ 0.725911 0.320022 0.199352 ] [ 0.827964 0.538604 0.277684 ] [ 0.869586 0.709129 0.106818 ] [ 0.549919 0.717141 0.437164 ] [ 0.868112 0.447124 0.0365 ] [ 0.566115 0.460122 0.425371 ] [ 0.725911 0.679978 0.699352 ] [ 0.933885 0.960122 0.074629 ] [ 0.631888 0.947124 0.4635 ] [ 0.450081 0.717141 0.062836 ] [ 0.130414 0.709129 0.393182 ] [ 0.827964 0.461396 0.777684 ] [ 0.672036 0.038604 0.222316 ] [ 0.369586 0.790871 0.606818 ] [ 0.049919 0.782859 0.937164 ] [ 0.868112 0.552876 0.5365 ] [ 0.566115 0.539878 0.925371 ] [ 0.774089 0.820022 0.300648 ] [ 0.933885 0.039878 0.574629 ] [ 0.631888 0.052876 0.9635 ] [ 0.950081 0.782859 0.562836 ] [ 0.630414 0.790871 0.893182 ] [ 0.672036 0.961396 0.722316 ] [ 0.774089 0.179978 0.800648 ] ] } "species" { "source-value" [ "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "W" "W" "W" "W" "W" "W" "W" "W" "W" "W" "W" "W" "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" 7.78495018 "source-unit" "angstrom" } "b" { "source-value" 11.53583415 "source-unit" "angstrom" } "c" { "source-value" 11.44850095 "source-unit" "angstrom" } "beta" { "source-value" 109.69548771 "source-unit" "degree" } }