{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_12_12_1" } "basis-atom-coordinates" { "source-value" [ [ 0.181963 0.440467 0.160284 ] [ 0.681963 0.059533 0.839716 ] [ 0.818037 0.940467 0.339716 ] [ 0.318037 0.559533 0.660284 ] [ 0.964305 0.868625 0.065645 ] [ 0.464305 0.631375 0.934355 ] [ 0.035695 0.368625 0.434355 ] [ 0.535695 0.131375 0.565645 ] [ 0.874389 0.307891 0.609889 ] [ 0.374389 0.192109 0.390111 ] [ 0.125611 0.807891 0.890111 ] [ 0.625611 0.692109 0.109889 ] [ 0.135827 0.132829 0.673828 ] [ 0.635827 0.367171 0.326172 ] [ 0.864173 0.632829 0.826172 ] [ 0.364173 0.867171 0.173828 ] [ 0.8132 0.132963 0.104494 ] [ 0.3132 0.367037 0.895506 ] [ 0.1868 0.632963 0.395506 ] [ 0.6868 0.867037 0.604494 ] [ 0.423572 0.081052 0.07519 ] [ 0.923572 0.418948 0.92481 ] [ 0.576428 0.581052 0.42481 ] [ 0.076428 0.918948 0.57519 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Ag" "Ag" "Ag" "Ag" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.90332462 "source-unit" "angstrom" } "b" { "source-value" 9.23537586 "source-unit" "angstrom" } "c" { "source-value" 13.80695148 "source-unit" "angstrom" } }