{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0 0.5 ] [ 0 0.839599 0.5 ] [ 0 0.160401 0.5 ] [ 0.5 0.5 0 ] [ 0 0.5 0.5 ] [ 0.5 0.339599 0.5 ] [ 0.5 0.660401 0.5 ] [ 0 0.667114 0 ] [ 0 0.332886 0 ] [ 0.5 0.167114 0 ] [ 0.5 0.832886 0 ] [ 0.279631 0 0.771221 ] [ 0.254575 0.178327 0.22619 ] [ 0.254575 0.821673 0.22619 ] [ 0.720369 0 0.228779 ] [ 0.745425 0.821673 0.77381 ] [ 0.745425 0.178327 0.77381 ] [ 0.779631 0.5 0.771221 ] [ 0.754575 0.678327 0.22619 ] [ 0.754575 0.321673 0.22619 ] [ 0.220369 0.5 0.228779 ] [ 0.245425 0.321673 0.77381 ] [ 0.245425 0.678327 0.77381 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "U" "U" "U" "U" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.99948489383 "source-unit" "angstrom" } "b" { "source-value" 12.1127469255 "source-unit" "angstrom" } "c" { "source-value" 7.02904469227 "source-unit" "angstrom" } "beta" { "source-value" 109.575907314 "source-unit" "degree" } }