{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.774321 0.75 0.369811 ] [ 0.225679 0.25 0.630189 ] [ 0.230145 0.498467 0.209391 ] [ 0.230145 0.001533 0.209391 ] [ 0.769855 0.501533 0.790609 ] [ 0.769855 0.998467 0.790609 ] [ 0.706259 0.25 0.416834 ] [ 0.293741 0.75 0.583166 ] [ 0.731783 0.75 0.071006 ] [ 0.268217 0.25 0.928994 ] [ 0.299342 0.25 0.06495 ] [ 0.957583 0.75 0.135305 ] [ 0.53583 0.75 0.160276 ] [ 0.817293 0.069298 0.346059 ] [ 0.817293 0.430702 0.346059 ] [ 0.221922 0.75 0.416281 ] [ 0.408082 0.25 0.405997 ] [ 0.591918 0.75 0.594003 ] [ 0.778078 0.25 0.583719 ] [ 0.182707 0.569298 0.653941 ] [ 0.182707 0.930702 0.653941 ] [ 0.46417 0.25 0.839724 ] [ 0.042417 0.25 0.864695 ] [ 0.700658 0.75 0.93505 ] ] } "species" { "source-value" [ "Tb" "Tb" "Na" "Na" "Na" "Na" "P" "P" "C" "C" "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" 5.22828644 "source-unit" "angstrom" } "b" { "source-value" 7.01593997 "source-unit" "angstrom" } "c" { "source-value" 9.24778509 "source-unit" "angstrom" } "beta" { "source-value" 91.04010526 "source-unit" "degree" } }