{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ibam" } "basis-atom-coordinates" { "source-value" [ [ 0.230181 0.687638 0 ] [ 0.5 0.5 0.25 ] [ 0.269819 0.187638 0 ] [ 0.730181 0.812362 0 ] [ 0 0 0.25 ] [ 0.769819 0.312362 0 ] [ 0.730181 0.187638 0.5 ] [ 0 0 0.75 ] [ 0.769819 0.687638 0.5 ] [ 0.230181 0.312362 0.5 ] [ 0.5 0.5 0.75 ] [ 0.269819 0.812362 0.5 ] [ 0.106042 0.604925 0.194047 ] [ 0.393958 0.104925 0.194047 ] [ 0.606042 0.895075 0.194047 ] [ 0.106042 0.604925 0.805953 ] [ 0.893958 0.395075 0.194047 ] [ 0.393958 0.104925 0.805953 ] [ 0.606042 0.895075 0.805953 ] [ 0.893958 0.395075 0.805953 ] [ 0.606042 0.104925 0.694047 ] [ 0.893958 0.604925 0.694047 ] [ 0.106042 0.395075 0.694047 ] [ 0.606042 0.104925 0.305953 ] [ 0.393958 0.895075 0.694047 ] [ 0.893958 0.604925 0.305953 ] [ 0.106042 0.395075 0.305953 ] [ 0.393958 0.895075 0.305953 ] [ 0.037734 0.940365 0 ] [ 0.462266 0.440365 0 ] [ 0.537734 0.559635 0 ] [ 0.962266 0.059635 0 ] [ 0.537734 0.440365 0.5 ] [ 0.962266 0.940365 0.5 ] [ 0.037734 0.059635 0.5 ] [ 0.462266 0.559635 0.5 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "C" "C" "C" "C" "C" "C" "C" "C" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.82464468 "source-unit" "angstrom" } "b" { "source-value" 9.03817594 "source-unit" "angstrom" } "c" { "source-value" 15.12158394 "source-unit" "angstrom" } }