{ "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" [ [ 0.899304 0.725863 0.150785 ] [ 0.600696 0.225863 0.849215 ] [ 0.100696 0.274137 0.849215 ] [ 0.399304 0.774137 0.150785 ] [ 0.698559 0.232618 0.336545 ] [ 0.801441 0.732618 0.663455 ] [ 0.301441 0.767382 0.663455 ] [ 0.198559 0.267382 0.336545 ] [ 0.673577 0.024272 0.120714 ] [ 0.826423 0.524272 0.879286 ] [ 0.326423 0.975728 0.879286 ] [ 0.173577 0.475728 0.120714 ] [ 0.944944 0.359205 0.331027 ] [ 0.555056 0.859205 0.668973 ] [ 0.055056 0.640795 0.668973 ] [ 0.444944 0.140795 0.331027 ] [ 0.130337 0.002187 0.172924 ] [ 0.369663 0.502187 0.827076 ] [ 0.869663 0.997813 0.827076 ] [ 0.630337 0.497813 0.172924 ] [ 0.203676 0.089126 0.561097 ] [ 0.296324 0.589126 0.438903 ] [ 0.796324 0.910874 0.438903 ] [ 0.703676 0.410874 0.561097 ] ] } "species" { "source-value" [ "Pr" "Pr" "Pr" "Pr" "Sb" "Sb" "Sb" "Sb" "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" 7.78351536935 "source-unit" "angstrom" } "b" { "source-value" 5.59749693 "source-unit" "angstrom" } "c" { "source-value" 7.79094497235 "source-unit" "angstrom" } "beta" { "source-value" 100.511808887 "source-unit" "degree" } }