{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0 0.5 ] [ 0.201829 0.723406 0.75 ] [ 0.798171 0.276594 0.25 ] [ 0.201829 0.276594 0.75 ] [ 0.798171 0.723406 0.25 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0.701829 0.223406 0.75 ] [ 0.298171 0.776594 0.25 ] [ 0.701829 0.776594 0.75 ] [ 0.298171 0.223406 0.25 ] [ 0.5 0 0 ] [ 0.5 0 0.5 ] [ 0 0.5 0 ] [ 0 0.5 0.5 ] [ 0.59189 0 0.75 ] [ 0.40811 0 0.25 ] [ 0.977551 0.132569 0.75 ] [ 0.022449 0.867431 0.25 ] [ 0.977551 0.867431 0.75 ] [ 0.022449 0.132569 0.25 ] [ 0.311498 0.87282 0.962313 ] [ 0.688502 0.12718 0.462313 ] [ 0.311498 0.12718 0.962313 ] [ 0.688502 0.87282 0.462313 ] [ 0.311498 0.87282 0.537687 ] [ 0.688502 0.12718 0.037687 ] [ 0.688502 0.87282 0.037687 ] [ 0.311498 0.12718 0.537687 ] [ 0.09189 0.5 0.75 ] [ 0.90811 0.5 0.25 ] [ 0.477551 0.632569 0.75 ] [ 0.522449 0.367431 0.25 ] [ 0.477551 0.367431 0.75 ] [ 0.522449 0.632569 0.25 ] [ 0.811498 0.37282 0.962313 ] [ 0.188502 0.62718 0.462313 ] [ 0.811498 0.62718 0.962313 ] [ 0.188502 0.37282 0.462313 ] [ 0.811498 0.37282 0.537687 ] [ 0.188502 0.62718 0.037687 ] [ 0.188502 0.37282 0.037687 ] [ 0.811498 0.62718 0.537687 ] ] } "species" { "source-value" [ "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Ir" "Ir" "Ir" "Ir" "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" 7.47303196711 "source-unit" "angstrom" } "b" { "source-value" 10.8008765469 "source-unit" "angstrom" } "c" { "source-value" 7.5281381 "source-unit" "angstrom" } }