{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnam" } "basis-atom-coordinates" { "source-value" [ [ 0.01599 0.991904 0.25 ] [ 0.484011 0.491904 0.75 ] [ 0.515989 0.508096 0.25 ] [ 0.984011 0.008096 0.75 ] [ 0 0.5 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0 0 ] [ 0.232675 0.233637 0.958524 ] [ 0.512171 0.924983 0.75 ] [ 0.732675 0.266363 0.541476 ] [ 0.732675 0.266363 0.958524 ] [ 0.767325 0.766363 0.458524 ] [ 0.012171 0.575017 0.75 ] [ 0.232675 0.233637 0.541476 ] [ 0.267325 0.733637 0.041476 ] [ 0.267325 0.733637 0.458524 ] [ 0.487829 0.075017 0.25 ] [ 0.767325 0.766363 0.041476 ] [ 0.987829 0.424983 0.25 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "U" "U" "U" "U" "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" 6.26744952 "source-unit" "angstrom" } "b" { "source-value" 6.29211041 "source-unit" "angstrom" } "c" { "source-value" 8.81888131 "source-unit" "angstrom" } }