{ "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" [ [ 0.211052 0.443793 0.183247 ] [ 0.211052 0.056207 0.683247 ] [ 0.788948 0.556207 0.816753 ] [ 0.788948 0.943793 0.316753 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0 ] [ 0 0.5 0.5 ] [ 0 0 0 ] [ 0.662036 0.760342 0.573686 ] [ 0.662036 0.739658 0.073686 ] [ 0.337964 0.239658 0.426314 ] [ 0.337964 0.260342 0.926314 ] [ 0.871345 0.293158 0.046862 ] [ 0.128655 0.793158 0.453138 ] [ 0.128655 0.706842 0.953138 ] [ 0.871345 0.206842 0.546862 ] [ 0.090267 0.94422 0.183625 ] [ 0.909733 0.44422 0.316375 ] [ 0.909733 0.05578 0.816375 ] [ 0.090267 0.55578 0.683625 ] [ 0.504896 0.150929 0.171545 ] [ 0.495104 0.650929 0.328455 ] [ 0.495104 0.849071 0.828455 ] [ 0.504896 0.349071 0.671545 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Au" "Au" "Au" "Au" "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" 9.60952753641 "source-unit" "angstrom" } "b" { "source-value" 6.85680104 "source-unit" "angstrom" } "c" { "source-value" 13.1463880261 "source-unit" "angstrom" } "beta" { "source-value" 97.7029278716 "source-unit" "degree" } }