{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.093 0.25 ] [ 0.5 0.907 0.75 ] [ 0 0.593 0.25 ] [ 0 0.407 0.75 ] [ 0 0.927171 0.25 ] [ 0 0.072829 0.75 ] [ 0.5 0.427171 0.25 ] [ 0.5 0.572829 0.75 ] [ 0.5 0.755176 0.25 ] [ 0.5 0.244824 0.75 ] [ 0 0.255176 0.25 ] [ 0 0.744824 0.75 ] [ 0.76735 0 0.5 ] [ 0.76735 0 0 ] [ 0.23265 0 0 ] [ 0.23265 0 0.5 ] [ 0.26735 0.5 0.5 ] [ 0.26735 0.5 0 ] [ 0.73265 0.5 0 ] [ 0.73265 0.5 0.5 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Bi" "Bi" "Bi" "Bi" "I" "I" "I" "I" "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" 5.95006435352 "source-unit" "angstrom" } "b" { "source-value" 13.8671769083 "source-unit" "angstrom" } "c" { "source-value" 5.82327017 "source-unit" "angstrom" } }