{ "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" [ [ 0.372893 0.5 0.619634 ] [ 0.874945 0.5 0.129546 ] [ 0.127107 0 0.380366 ] [ 0.125055 0.5 0.870454 ] [ 0.872893 0 0.619634 ] [ 0.374945 0 0.129546 ] [ 0.627107 0.5 0.380366 ] [ 0.625055 0 0.870454 ] [ 0.123822 0.5 0.369582 ] [ 0.876178 0.5 0.630418 ] [ 0.623822 0 0.369582 ] [ 0.376178 0 0.630418 ] [ 0.123988 0 0.872948 ] [ 0.876012 0 0.127052 ] [ 0.623988 0.5 0.872948 ] [ 0.376012 0.5 0.127052 ] ] } "species" { "source-value" [ "U" "U" "U" "U" "U" "U" "U" "U" "As" "As" "As" "As" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 12.92275619 "source-unit" "angstrom" } "b" { "source-value" 5.77999776 "source-unit" "angstrom" } "c" { "source-value" 5.77521595 "source-unit" "angstrom" } "beta" { "source-value" 116.47899689 "source-unit" "degree" } }