{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnam" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.203347 0.098291 ] [ 0.25 0.296653 0.598291 ] [ 0.75 0.703347 0.401709 ] [ 0.25 0.796653 0.901709 ] [ 0.75 0.006055 0.862015 ] [ 0.25 0.493945 0.362015 ] [ 0.75 0.506055 0.637985 ] [ 0.25 0.993945 0.137985 ] [ 0.75 0.145314 0.417173 ] [ 0.25 0.354686 0.917173 ] [ 0.75 0.645314 0.082827 ] [ 0.25 0.854686 0.582827 ] ] } "species" { "source-value" [ "Bi" "Bi" "Bi" "Bi" "O" "O" "O" "O" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.64413877 "source-unit" "angstrom" } "b" { "source-value" 6.53816252 "source-unit" "angstrom" } "c" { "source-value" 7.74926515 "source-unit" "angstrom" } }