{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.232017 0.498485 0.209751 ] [ 0.232017 0.001515 0.209751 ] [ 0.767983 0.501515 0.790249 ] [ 0.767983 0.998485 0.790249 ] [ 0.776168 0.75 0.369489 ] [ 0.223832 0.25 0.630511 ] [ 0.705733 0.25 0.417534 ] [ 0.294267 0.75 0.582466 ] [ 0.731559 0.75 0.072145 ] [ 0.268441 0.25 0.927855 ] [ 0.300056 0.25 0.062425 ] [ 0.958227 0.75 0.136341 ] [ 0.536411 0.75 0.162664 ] [ 0.81522 0.068571 0.346616 ] [ 0.81522 0.431429 0.346616 ] [ 0.219602 0.75 0.416838 ] [ 0.407112 0.25 0.4083 ] [ 0.592888 0.75 0.5917 ] [ 0.780398 0.25 0.583162 ] [ 0.18478 0.568571 0.653384 ] [ 0.18478 0.931429 0.653384 ] [ 0.463589 0.25 0.837336 ] [ 0.041773 0.25 0.863659 ] [ 0.699944 0.75 0.937575 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Dy" "Dy" "P" "P" "C" "C" "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" 5.22862402 "source-unit" "angstrom" } "b" { "source-value" 7.0104672 "source-unit" "angstrom" } "c" { "source-value" 9.2759711 "source-unit" "angstrom" } "beta" { "source-value" 90.87174942 "source-unit" "degree" } }