{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_2/mnm" } "basis-atom-coordinates" { "source-value" [ [ 0.852058 0.147942 0 ] [ 0.647942 0.647942 0.5 ] [ 0.352058 0.352058 0.5 ] [ 0.147942 0.852058 0 ] [ 0.529332 0.859205 0 ] [ 0.470668 0.140795 0 ] [ 0.640795 0.029332 0.5 ] [ 0.359205 0.970668 0.5 ] [ 0.859205 0.529332 0 ] [ 0.029332 0.640795 0.5 ] [ 0.970668 0.359205 0.5 ] [ 0.140795 0.470668 0 ] [ 0.812468 0.812468 0 ] [ 0.312468 0.687532 0.5 ] [ 0.687532 0.312468 0.5 ] [ 0.187532 0.187532 0 ] [ 0.404609 0.595391 0 ] [ 0.095391 0.095391 0.5 ] [ 0.904609 0.904609 0.5 ] [ 0.595391 0.404609 0 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Tl" "Tl" "Tl" "Tl" "Tl" "Tl" "Tl" "Tl" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 11.09264759 "source-unit" "angstrom" } "c" { "source-value" 5.20950816 "source-unit" "angstrom" } }