{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.58045 0.641458 ] [ 0.75 0.91955 0.141458 ] [ 0.25 0.08045 0.858542 ] [ 0.75 0.41955 0.358542 ] [ 0.25 0.420065 0.102527 ] [ 0.25 0.920065 0.397473 ] [ 0.75 0.079935 0.602527 ] [ 0.75 0.579935 0.897473 ] [ 0.25 0.162749 0.244783 ] [ 0.75 0.750845 0.492719 ] [ 0.25 0.749155 0.992719 ] [ 0.75 0.250845 0.007281 ] [ 0.75 0.837251 0.755217 ] [ 0.75 0.337251 0.744783 ] [ 0.25 0.662749 0.255217 ] [ 0.25 0.249155 0.507281 ] ] } "species" { "source-value" [ "U" "U" "U" "U" "W" "W" "W" "W" "C" "C" "C" "C" "C" "C" "C" "C" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.23119685 "source-unit" "angstrom" } "b" { "source-value" 5.64126079 "source-unit" "angstrom" } "c" { "source-value" 11.05778109 "source-unit" "angstrom" } }