{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0 0.307548 0 ] [ 0 0.692452 0 ] [ 0.5 0.807548 0 ] [ 0.5 0.192452 0 ] [ 0.741126 0 0.606432 ] [ 0.258874 0 0.393568 ] [ 0.241126 0.5 0.606432 ] [ 0.758874 0.5 0.393568 ] [ 0.765907 0.179598 0.817573 ] [ 0.765907 0.820402 0.817573 ] [ 0.542599 0 0.255071 ] [ 0 0 0.5 ] [ 0.457401 0 0.744929 ] [ 0.234093 0.820402 0.182427 ] [ 0.234093 0.179598 0.182427 ] [ 0.265907 0.679598 0.817573 ] [ 0.265907 0.320402 0.817573 ] [ 0.042599 0.5 0.255071 ] [ 0.5 0.5 0.5 ] [ 0.957401 0.5 0.744929 ] [ 0.734093 0.320402 0.182427 ] [ 0.734093 0.679598 0.182427 ] ] } "species" { "source-value" [ "Y" "Y" "Y" "Y" "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" 7.27745558 "source-unit" "angstrom" } "b" { "source-value" 9.67968268 "source-unit" "angstrom" } "c" { "source-value" 5.88119337 "source-unit" "angstrom" } "beta" { "source-value" 99.65776216 "source-unit" "degree" } }