{ "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" [ [ 0.170324 0 0.659247 ] [ 0.829676 0 0.340753 ] [ 0.670324 0.5 0.659247 ] [ 0.329676 0.5 0.340753 ] [ 0.990914 0.5 0.751142 ] [ 0.009086 0.5 0.248858 ] [ 0.864834 0 0.887919 ] [ 0.135166 0 0.112081 ] [ 0.490914 0 0.751142 ] [ 0.509086 0 0.248858 ] [ 0.364834 0.5 0.887919 ] [ 0.635166 0.5 0.112081 ] [ 0 0.253196 0 ] [ 0 0.746804 0 ] [ 0.800982 0.5 0.693818 ] [ 0.199018 0.5 0.306182 ] [ 0.854259 0.241754 0.221474 ] [ 0.145741 0.241754 0.778526 ] [ 0.092653 0 0.403488 ] [ 0.907347 0 0.596512 ] [ 0.854259 0.758246 0.221474 ] [ 0.145741 0.758246 0.778526 ] [ 0.5 0.753196 0 ] [ 0.5 0.246804 0 ] [ 0.300982 0 0.693818 ] [ 0.699018 0 0.306182 ] [ 0.354259 0.741754 0.221474 ] [ 0.645741 0.741754 0.778526 ] [ 0.592653 0.5 0.403488 ] [ 0.407347 0.5 0.596512 ] [ 0.354259 0.258246 0.221474 ] [ 0.645741 0.258246 0.778526 ] ] } "species" { "source-value" [ "Mo" "Mo" "Mo" "Mo" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 14.3872945499 "source-unit" "angstrom" } "b" { "source-value" 5.93187730426 "source-unit" "angstrom" } "c" { "source-value" 7.50007127938 "source-unit" "angstrom" } "beta" { "source-value" 112.233527597 "source-unit" "degree" } }