{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.114337 0.647118 0.591363 ] [ 0.614337 0.852882 0.091363 ] [ 0.885663 0.352882 0.408637 ] [ 0.251912 0.02715 0.543582 ] [ 0.248088 0.52715 0.956418 ] [ 0.748088 0.97285 0.456418 ] [ 0.751912 0.47285 0.043582 ] [ 0.617287 0.721129 0.724843 ] [ 0.882713 0.221129 0.775157 ] [ 0.382713 0.278871 0.275157 ] [ 0.117287 0.778871 0.224843 ] [ 0.385663 0.147118 0.908637 ] [ 0.454631 0.367966 0.621785 ] [ 0.954631 0.132034 0.121785 ] [ 0.545369 0.632034 0.378215 ] [ 0.045369 0.867966 0.878215 ] [ 0.931638 0.723384 0.935607 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.043525 0.078697 0.277348 ] [ 0.568362 0.223384 0.564393 ] [ 0.068362 0.276616 0.064393 ] [ 0.431638 0.776616 0.435607 ] [ 0.215814 0.343831 0.623998 ] [ 0.284186 0.843831 0.876002 ] [ 0.784186 0.656169 0.376002 ] [ 0.715814 0.156169 0.123998 ] [ 0.543525 0.421303 0.777348 ] [ 0.956475 0.921303 0.722652 ] [ 0.456475 0.578697 0.222652 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Si" "Si" "Si" "Si" "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" 6.85814741228 "source-unit" "angstrom" } "b" { "source-value" 9.31789941 "source-unit" "angstrom" } "c" { "source-value" 9.38692552332 "source-unit" "angstrom" } "beta" { "source-value" 91.1030691001 "source-unit" "degree" } }