{ "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 0.39668 0.643624 ] [ 0.75 0.60332 0.356376 ] [ 0.25 0.89668 0.856376 ] [ 0.75 0.10332 0.143624 ] [ 0.75 0.905789 0.606023 ] [ 0.75 0.405789 0.893977 ] [ 0.25 0.094211 0.393977 ] [ 0.25 0.594211 0.106023 ] [ 0.25 0.277169 0.981688 ] [ 0.75 0.722831 0.018312 ] [ 0.25 0.777169 0.518312 ] [ 0.75 0.222831 0.481688 ] [ 0.25 0.859039 0.252246 ] [ 0.75 0.640961 0.752246 ] [ 0.25 0.359039 0.247754 ] [ 0.75 0.140961 0.747754 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Cd" "Cd" "Cd" "Cd" "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" 3.71956557 "source-unit" "angstrom" } "b" { "source-value" 6.26019296 "source-unit" "angstrom" } "c" { "source-value" 12.18911776 "source-unit" "angstrom" } }