{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P1" } "basis-atom-coordinates" { "source-value" [ [ 0.334673 0.748765 0.388866 ] [ 0.770793 0.414694 0.787042 ] [ 0.350185 0.592647 0.75202 ] [ 0.696629 0.338471 0.193507 ] [ 0.730337 0.916399 0.067808 ] [ 0.152384 0.290122 0.029028 ] [ 0.099555 0.763086 0.065013 ] [ 0.800332 0.693258 0.46799 ] [ 0.377525 0.019149 0.704275 ] [ 0.771436 0.0853 0.471602 ] [ 0.319639 0.269994 0.439158 ] [ 0.877087 0.950054 0.782888 ] [ 0.700917 0.876409 0.590163 ] [ 0.842513 0.756327 0.901776 ] [ 0.131753 0.074868 0.688525 ] [ 0.083935 0.202736 0.576109 ] [ 0.846187 0.123602 0.923093 ] [ 0.025761 0.969679 0.187718 ] [ 0.993728 0.795642 0.286865 ] [ 0.520136 0.162111 0.543634 ] [ 0.486068 0.504814 0.426513 ] [ 0.186401 0.172331 0.238277 ] [ 0.429721 0.353246 0.941509 ] [ 0.424991 0.837991 0.108141 ] [ 0.063895 0.504528 0.018551 ] [ 0.98342 0.583775 0.561129 ] ] } "species" { "source-value" [ "Yb" "Yb" "Ba" "Ba" "Al" "Al" "Al" "Al" "Si" "Si" "Si" "Si" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "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" 6.06950109 "source-unit" "angstrom" } "b" { "source-value" 7.52104635 "source-unit" "angstrom" } "c" { "source-value" 8.11251685 "source-unit" "angstrom" } "alpha" { "source-value" 92.36232942 "source-unit" "degree" } "beta" { "source-value" 93.5876394 "source-unit" "degree" } "gamma" { "source-value" 111.60880139 "source-unit" "degree" } }