{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbnn" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.846039 0.25 ] [ 0.75 0.653961 0.75 ] [ 0.25 0.153961 0.75 ] [ 0.25 0.346039 0.25 ] [ 0.284428 0.75 0 ] [ 0.215572 0.75 0.5 ] [ 0.715572 0.25 0 ] [ 0.784428 0.25 0.5 ] [ 0.912769 0.920716 0.401358 ] [ 0.912769 0.579284 0.598642 ] [ 0.587231 0.920716 0.098642 ] [ 0.587231 0.579284 0.901358 ] [ 0.087231 0.079284 0.598642 ] [ 0.087231 0.420716 0.401358 ] [ 0.412769 0.079284 0.901358 ] [ 0.412769 0.420716 0.098642 ] [ 0.503298 0.143643 0.307159 ] [ 0.503298 0.356357 0.692841 ] [ 0.996702 0.143643 0.192841 ] [ 0.996702 0.356357 0.807159 ] [ 0.496702 0.856357 0.692841 ] [ 0.496702 0.643643 0.307159 ] [ 0.003298 0.856357 0.807159 ] [ 0.003298 0.643643 0.192841 ] ] } "species" { "source-value" [ "Nb" "Nb" "Nb" "Nb" "Bi" "Bi" "Bi" "Bi" "O" "O" "O" "O" "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" 5.10806515 "source-unit" "angstrom" } "b" { "source-value" 5.83005147 "source-unit" "angstrom" } "c" { "source-value" 11.79346432 "source-unit" "angstrom" } }