{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.086053 0.287467 0.167542 ] [ 0.413947 0.787467 0.332458 ] [ 0.913947 0.712533 0.832458 ] [ 0.586053 0.212533 0.667542 ] [ 0.975338 0.059636 0.329524 ] [ 0.298201 0.537936 0.89146 ] [ 0.798201 0.962064 0.39146 ] [ 0.701799 0.462064 0.10854 ] [ 0.201799 0.037936 0.60854 ] [ 0.524662 0.559636 0.170476 ] [ 0.024662 0.940364 0.670476 ] [ 0.475338 0.440364 0.829524 ] [ 0.933014 0.092804 0.565051 ] [ 0.566986 0.592804 0.934949 ] [ 0.066986 0.907196 0.434949 ] [ 0.433014 0.407196 0.065051 ] [ 0.340694 0.571009 0.656016 ] [ 0.656231 0.727304 0.845742 ] [ 0.156231 0.772696 0.345742 ] [ 0.343769 0.272696 0.154258 ] [ 0.489947 0.087142 0.767793 ] [ 0.010053 0.587142 0.732207 ] [ 0.510053 0.912858 0.232207 ] [ 0.989947 0.412858 0.267793 ] [ 0.939025 0.14148 0.086128 ] [ 0.560975 0.64148 0.413872 ] [ 0.060975 0.85852 0.913872 ] [ 0.439025 0.35852 0.586128 ] [ 0.206382 0.385794 0.785514 ] [ 0.293618 0.885794 0.714486 ] [ 0.793618 0.614206 0.214486 ] [ 0.11187 0.19019 0.503884 ] [ 0.25631 0.504596 0.127425 ] [ 0.24369 0.004596 0.372575 ] [ 0.74369 0.495404 0.872575 ] [ 0.75631 0.995404 0.627425 ] [ 0.659306 0.428991 0.343984 ] [ 0.840694 0.928991 0.156016 ] [ 0.706382 0.114206 0.285514 ] [ 0.159306 0.071009 0.843984 ] [ 0.61187 0.30981 0.003884 ] [ 0.88813 0.80981 0.496116 ] [ 0.38813 0.69019 0.996116 ] [ 0.843769 0.227304 0.654258 ] ] } "species" { "source-value" [ "Ag" "Ag" "Ag" "Ag" "W" "W" "W" "W" "W" "W" "W" "W" "W" "W" "W" "W" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.98730317424 "source-unit" "angstrom" } "b" { "source-value" 16.08264862 "source-unit" "angstrom" } "c" { "source-value" 10.0646409578 "source-unit" "angstrom" } "beta" { "source-value" 118.575312185 "source-unit" "degree" } }