{ "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" [ [ 0.809625 0.855556 0.22029 ] [ 0.190375 0.355556 0.27971 ] [ 0.809625 0.644444 0.72029 ] [ 0.190375 0.144444 0.77971 ] [ 0.309907 0.835982 0.196233 ] [ 0.690093 0.335982 0.303767 ] [ 0.309907 0.664018 0.696233 ] [ 0.690093 0.164018 0.803767 ] [ 0.347618 0.898399 0.02183 ] [ 0.118486 0.650137 0.103651 ] [ 0.392228 0.291495 0.108994 ] [ 0.83185 0.495551 0.255333 ] [ 0.607772 0.791495 0.391006 ] [ 0.16815 0.995551 0.244667 ] [ 0.881514 0.150137 0.396349 ] [ 0.652382 0.398399 0.47817 ] [ 0.347618 0.601601 0.52183 ] [ 0.118486 0.849863 0.603651 ] [ 0.83185 0.004449 0.755333 ] [ 0.392228 0.208505 0.608994 ] [ 0.16815 0.504449 0.744667 ] [ 0.607772 0.708505 0.891006 ] [ 0.881514 0.349863 0.896349 ] [ 0.652382 0.101601 0.97817 ] ] } "species" { "source-value" [ "Cd" "Cd" "Cd" "Cd" "Se" "Se" "Se" "Se" "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" 6.71796085 "source-unit" "angstrom" } "b" { "source-value" 7.1813911 "source-unit" "angstrom" } "c" { "source-value" 8.32914249 "source-unit" "angstrom" } "beta" { "source-value" 127.06946487 "source-unit" "degree" } }