{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0.5 ] [ 0 0 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0.75 0.75 0 ] [ 0.25 0.75 0 ] [ 0.25 0.25 0 ] [ 0.75 0.25 0 ] [ 0.320805 0.132444 0.5 ] [ 0.320805 0.867556 0.5 ] [ 0 0.142512 0 ] [ 0 0.857488 0 ] [ 0.679195 0.867556 0.5 ] [ 0.679195 0.132444 0.5 ] [ 0.820805 0.632444 0.5 ] [ 0.820805 0.367556 0.5 ] [ 0.5 0.642512 0 ] [ 0.5 0.357488 0 ] [ 0.179195 0.367556 0.5 ] [ 0.179195 0.632444 0.5 ] ] } "species" { "source-value" [ "Ag" "Ag" "Ag" "Ag" "Bi" "Bi" "Bi" "Bi" "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" 8.06027237 "source-unit" "angstrom" } "b" { "source-value" 10.88733189 "source-unit" "angstrom" } "c" { "source-value" 3.52090404 "source-unit" "angstrom" } }