{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.941845 0.25 0.913576 ] [ 0.058155 0.75 0.086424 ] [ 0.659453 0.25 0.813684 ] [ 0.340547 0.75 0.186316 ] [ 0.842805 0.25 0.713437 ] [ 0.157195 0.75 0.286563 ] [ 0.03573 0.25 0.613647 ] [ 0.96427 0.75 0.386353 ] [ 0.762777 0.25 0.513641 ] [ 0.237223 0.75 0.486359 ] [ 0.478106 0.25 0.413915 ] [ 0.521894 0.75 0.586085 ] [ 0.655012 0.25 0.313998 ] [ 0.344988 0.75 0.686002 ] [ 0.853244 0.25 0.213945 ] [ 0.146756 0.75 0.786055 ] [ 0.573722 0.25 0.113923 ] [ 0.426278 0.75 0.886077 ] [ 0.749243 0.25 0.013742 ] [ 0.250757 0.75 0.986258 ] [ 0.455879 0.25 0.942041 ] [ 0.544121 0.75 0.057959 ] [ 0.173583 0.25 0.841775 ] [ 0.826417 0.75 0.158225 ] [ 0.355523 0.25 0.74183 ] [ 0.644477 0.75 0.25817 ] [ 0.549329 0.25 0.641752 ] [ 0.450671 0.75 0.358248 ] [ 0.274701 0.25 0.542079 ] [ 0.725299 0.75 0.457921 ] [ 0.992534 0.25 0.442173 ] [ 0.007466 0.75 0.557827 ] [ 0.168848 0.25 0.342449 ] [ 0.831152 0.75 0.657551 ] [ 0.36464 0.25 0.242404 ] [ 0.63536 0.75 0.757596 ] [ 0.089459 0.25 0.142352 ] [ 0.910541 0.75 0.857648 ] [ 0.262366 0.25 0.042122 ] [ 0.737634 0.75 0.957878 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.23321279537 "source-unit" "angstrom" } "b" { "source-value" 4.81941638 "source-unit" "angstrom" } "c" { "source-value" 40.426744981 "source-unit" "angstrom" } "beta" { "source-value" 94.2138810508 "source-unit" "degree" } }