{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm" } "basis-atom-coordinates" { "source-value" [ [ 0.498042 0 0.455103 ] [ 0.998042 0.5 0.455103 ] [ 0.04077 0 0.049971 ] [ 0.296225 0.5 0.283228 ] [ 0.791285 0.5 0.810678 ] [ 0.54077 0.5 0.049971 ] [ 0.796225 0 0.283228 ] [ 0.291285 0 0.810678 ] [ 0.013396 0.5 0.639507 ] [ 0.731025 0.5 0.884743 ] [ 0.122734 0 0.023221 ] [ 0.98562 0 0.122644 ] [ 0.385398 0.5 0.269372 ] [ 0.093224 0.5 0.492994 ] [ 0.861574 0.5 0.707414 ] [ 0.513396 0 0.639507 ] [ 0.231025 0 0.884743 ] [ 0.622734 0.5 0.023221 ] [ 0.48562 0.5 0.122644 ] [ 0.885398 0 0.269372 ] [ 0.593224 0 0.492994 ] [ 0.361574 0 0.707414 ] ] } "species" { "source-value" [ "Ta" "Ta" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "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" 25.4822554758 "source-unit" "angstrom" } "b" { "source-value" 3.77107907546 "source-unit" "angstrom" } "c" { "source-value" 12.902674874 "source-unit" "angstrom" } "beta" { "source-value" 164.503524277 "source-unit" "degree" } }