{ "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" [ [ 0.82022 0.5 0.138931 ] [ 0.805667 0.5 0.672981 ] [ 0.194333 0.5 0.327019 ] [ 0.17978 0.5 0.861069 ] [ 0 0 0.5 ] [ 0.32022 0 0.138931 ] [ 0.305667 0 0.672981 ] [ 0.694333 0 0.327019 ] [ 0.67978 0 0.861069 ] [ 0.5 0.5 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.861336 0 0.162687 ] [ 0 0.5 0 ] [ 0.850431 0 0.694289 ] [ 0.149569 0 0.305711 ] [ 0.138664 0 0.837313 ] [ 0.361336 0.5 0.162687 ] [ 0.5 0 0 ] [ 0.350431 0.5 0.694289 ] [ 0.649569 0.5 0.305711 ] [ 0.638664 0.5 0.837313 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Bi" "Bi" "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" 11.04715712 "source-unit" "angstrom" } "b" { "source-value" 4.58925962 "source-unit" "angstrom" } "c" { "source-value" 6.61005819 "source-unit" "angstrom" } "beta" { "source-value" 108.55529383 "source-unit" "degree" } }