{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.865802 0.75 ] [ 0 0.634198 0.25 ] [ 0 0.365802 0.75 ] [ 0.5 0.134198 0.25 ] [ 0.5 0.602089 0.25 ] [ 0 0.897911 0.75 ] [ 0 0.102089 0.25 ] [ 0.5 0.397911 0.75 ] [ 0.169373 0.784723 0.664999 ] [ 0.257427 0.529086 0.766713 ] [ 0.742573 0.529086 0.733287 ] [ 0.669373 0.715277 0.164999 ] [ 0.830627 0.784723 0.835001 ] [ 0.757427 0.970914 0.266713 ] [ 0.242573 0.970914 0.233287 ] [ 0.330627 0.715277 0.335001 ] [ 0.669373 0.284723 0.664999 ] [ 0.757427 0.029086 0.766713 ] [ 0.242573 0.029086 0.733287 ] [ 0.169373 0.215277 0.164999 ] [ 0.330627 0.284723 0.835001 ] [ 0.257427 0.470914 0.266713 ] [ 0.742573 0.470914 0.233287 ] [ 0.830627 0.215277 0.335001 ] ] } "species" { "source-value" [ "Sm" "Sm" "Sm" "Sm" "Bi" "Bi" "Bi" "Bi" "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" 7.36097164 "source-unit" "angstrom" } "b" { "source-value" 11.40434622 "source-unit" "angstrom" } "c" { "source-value" 5.35300582 "source-unit" "angstrom" } "beta" { "source-value" 130.18150629 "source-unit" "degree" } }