{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnna" } "basis-atom-coordinates" { "source-value" [ [ 0.722294 0.75 0.25 ] [ 0.5 0 0.5 ] [ 0.222294 0.75 0.75 ] [ 0.777706 0.25 0.25 ] [ 0 0 0.5 ] [ 0.277706 0.25 0.75 ] [ 0 0.5 0 ] [ 0.5 0.5 0 ] [ 0.25 0.5 0.395928 ] [ 0.75 0.5 0.604072 ] [ 0.75 0 0.895928 ] [ 0.25 0 0.104072 ] [ 0.435105 0.682581 0.561984 ] [ 0.564895 0.182581 0.061984 ] [ 0.935105 0.817419 0.061984 ] [ 0.435105 0.817419 0.938016 ] [ 0.935105 0.682581 0.438016 ] [ 0.354825 0.75 0.25 ] [ 0.064895 0.182581 0.938016 ] [ 0.145175 0.25 0.25 ] [ 0.645175 0.25 0.75 ] [ 0.564895 0.317419 0.438016 ] [ 0.854825 0.75 0.75 ] [ 0.064895 0.317419 0.561984 ] ] } "species" { "source-value" [ "Ag" "Ag" "Ag" "Ag" "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" 6.13507361 "source-unit" "angstrom" } "b" { "source-value" 6.33245138 "source-unit" "angstrom" } "c" { "source-value" 9.84926167 "source-unit" "angstrom" } }