{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pb2_1m" } "basis-atom-coordinates" { "source-value" [ [ 0 0.776179 0.238651 ] [ 0 0.276179 0.761349 ] [ 0.5 0.556659 0.450416 ] [ 0.5 0.056659 0.549584 ] [ 0 0.769196 0.753962 ] [ 0.5 0.255966 0.717681 ] [ 0.5 0.755966 0.282319 ] [ 0 0.269196 0.246038 ] ] } "species" { "source-value" [ "Al" "Al" "H" "H" "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" 3.82148717 "source-unit" "angstrom" } "b" { "source-value" 3.89895807 "source-unit" "angstrom" } "c" { "source-value" 3.90831647 "source-unit" "angstrom" } }