{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbnm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0.5 ] [ 0.5 0 0 ] [ 0 0.5 0.5 ] [ 0 0.5 0 ] [ 0.489686 0.447833 0.75 ] [ 0.989686 0.052167 0.25 ] [ 0.510314 0.552167 0.25 ] [ 0.010314 0.947833 0.75 ] [ 0.400111 0.970138 0.25 ] [ 0.305974 0.697223 0.548802 ] [ 0.194026 0.197223 0.951198 ] [ 0.599889 0.029862 0.75 ] [ 0.694026 0.302777 0.048802 ] [ 0.805974 0.802777 0.451198 ] [ 0.900111 0.529862 0.75 ] [ 0.305974 0.697223 0.951198 ] [ 0.694026 0.302777 0.451198 ] [ 0.194026 0.197223 0.548802 ] [ 0.805974 0.802777 0.048802 ] [ 0.099889 0.470138 0.25 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "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" 5.49434422 "source-unit" "angstrom" } "b" { "source-value" 5.72796288 "source-unit" "angstrom" } "c" { "source-value" 7.89490247 "source-unit" "angstrom" } }