{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.013158 0.234051 0.680517 ] [ 0.986842 0.734051 0.319483 ] [ 0.007489 0.518558 0.983434 ] [ 0.500967 0.794658 0.834197 ] [ 0.492306 0.518988 0.518631 ] [ 0.507694 0.018988 0.481369 ] [ 0.499033 0.294658 0.165803 ] [ 0.992511 0.018558 0.016566 ] [ 0.995662 0.766789 0.68007 ] [ 0.004338 0.266789 0.31993 ] [ 0.510568 0.254338 0.862206 ] [ 0.489432 0.754338 0.137794 ] [ 0.709618 0.277332 0.934725 ] [ 0.303895 0.228461 0.927085 ] [ 0.916613 0.902785 0.798321 ] [ 0.085463 0.584019 0.745879 ] [ 0.516898 0.256387 0.722253 ] [ 0.210512 0.848859 0.591266 ] [ 0.769952 0.740178 0.580552 ] [ 0.230048 0.240178 0.419448 ] [ 0.789488 0.348859 0.408734 ] [ 0.483102 0.756387 0.277747 ] [ 0.914537 0.084019 0.254121 ] [ 0.083387 0.402785 0.201679 ] [ 0.696105 0.728461 0.072915 ] [ 0.290382 0.777332 0.065275 ] ] } "species" { "source-value" [ "Ba" "Ba" "Na" "Na" "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" 5.48013496 "source-unit" "angstrom" } "b" { "source-value" 7.30570087 "source-unit" "angstrom" } "c" { "source-value" 9.42374992 "source-unit" "angstrom" } "beta" { "source-value" 90.00995724 "source-unit" "degree" } }