{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2/c" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.312256 0.5 ] [ 0.25 0.687744 0.5 ] [ 0.75 0.339193 0 ] [ 0.25 0.660807 0 ] [ 0.760466 0.823733 0.23556 ] [ 0.739534 0.823733 0.76444 ] [ 0.239534 0.176267 0.76444 ] [ 0.260466 0.176267 0.23556 ] [ 0.077385 0.875185 0.125117 ] [ 0.422615 0.875185 0.874883 ] [ 0.922615 0.124815 0.874883 ] [ 0.577385 0.124815 0.125117 ] [ 0.448563 0.909405 0.329022 ] [ 0.051437 0.909405 0.670978 ] [ 0.551437 0.090595 0.670978 ] [ 0.948563 0.090595 0.329022 ] [ 0.591501 0.624883 0.107528 ] [ 0.908499 0.624883 0.892472 ] [ 0.408499 0.375117 0.892472 ] [ 0.091501 0.375117 0.107528 ] [ 0.378547 0.376712 0.354079 ] [ 0.121453 0.376712 0.645921 ] [ 0.621453 0.623288 0.645921 ] [ 0.878547 0.623288 0.354079 ] ] } "species" { "source-value" [ "Na" "Na" "Fe" "Fe" "W" "W" "W" "W" "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" 5.07777906669 "source-unit" "angstrom" } "b" { "source-value" 5.82967996 "source-unit" "angstrom" } "c" { "source-value" 10.0259912097 "source-unit" "angstrom" } "beta" { "source-value" 90.9206366281 "source-unit" "degree" } }