{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnnm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.753114 0.251613 0.246629 ] [ 0.253114 0.248387 0.253371 ] [ 0.253114 0.248387 0.746629 ] [ 0.246886 0.748387 0.246629 ] [ 0.006772 0.750314 0.5 ] [ 0.993228 0.249686 0.5 ] [ 0.753114 0.251613 0.753371 ] [ 0.746886 0.751613 0.746629 ] [ 0.746886 0.751613 0.253371 ] [ 0.506772 0.749686 0 ] [ 0.493228 0.250314 0 ] [ 0.246886 0.748387 0.753371 ] [ 0.75009 0.000661 0.249845 ] [ 0.682751 0.752392 0.1067 ] [ 0.681324 0.248138 0.105202 ] [ 0.501421 0.252304 0.287972 ] [ 0.498579 0.747696 0.287972 ] [ 0.318676 0.751862 0.105202 ] [ 0.317249 0.247608 0.1067 ] [ 0.24991 0.999339 0.750155 ] [ 0.25009 0.499339 0.250155 ] [ 0.24991 0.999339 0.249845 ] [ 0.182751 0.747608 0.6067 ] [ 0.182751 0.747608 0.3933 ] [ 0.181324 0.251862 0.394798 ] [ 0.181324 0.251862 0.605202 ] [ 0.001421 0.247696 0.787972 ] [ 0.001421 0.247696 0.212028 ] [ 0 0 0.5 ] [ 0 0.5 0.5 ] [ 0.998579 0.752304 0.787972 ] [ 0.998579 0.752304 0.212028 ] [ 0.818676 0.748138 0.605202 ] [ 0.818676 0.748138 0.394798 ] [ 0.817249 0.252392 0.3933 ] [ 0.817249 0.252392 0.6067 ] [ 0.75009 0.000661 0.750155 ] [ 0.74991 0.500661 0.749845 ] [ 0.74991 0.500661 0.250155 ] [ 0.682751 0.752392 0.8933 ] [ 0.681324 0.248138 0.894798 ] [ 0.501421 0.252304 0.712028 ] [ 0.5 0 0 ] [ 0.5 0.5 0 ] [ 0.498579 0.747696 0.712028 ] [ 0.318676 0.751862 0.894798 ] [ 0.317249 0.247608 0.8933 ] [ 0.25009 0.499339 0.749845 ] ] } "species" { "source-value" [ "Rb" "Rb" "W" "W" "W" "W" "W" "W" "W" "W" "W" "W" "W" "W" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 7.51787298 "source-unit" "angstrom" } "b" { "source-value" 7.73016041 "source-unit" "angstrom" } "c" { "source-value" 13.02209899 "source-unit" "angstrom" } }