{ "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" [ [ 0.01739 0.933323 0.75 ] [ 0.48261 0.433323 0.75 ] [ 0.98261 0.066677 0.25 ] [ 0.51739 0.566677 0.25 ] [ 0 0.5 0.5 ] [ 0 0.5 0 ] [ 0.5 0 0.5 ] [ 0.5 0 0 ] [ 0.67431 0.31263 0.046687 ] [ 0.67431 0.31263 0.453313 ] [ 0.32569 0.68737 0.953313 ] [ 0.879414 0.546112 0.75 ] [ 0.82569 0.81263 0.046687 ] [ 0.82569 0.81263 0.453313 ] [ 0.379414 0.953888 0.25 ] [ 0.620586 0.046112 0.75 ] [ 0.32569 0.68737 0.546687 ] [ 0.17431 0.18737 0.953313 ] [ 0.17431 0.18737 0.546687 ] [ 0.120586 0.453888 0.25 ] ] } "species" { "source-value" [ "Bi" "Bi" "Bi" "Bi" "Rh" "Rh" "Rh" "Rh" "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" 5.44007247 "source-unit" "angstrom" } "b" { "source-value" 5.92127992 "source-unit" "angstrom" } "c" { "source-value" 7.81221403 "source-unit" "angstrom" } }