{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/nbm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0 ] [ 0 0 0 ] [ 0.75 0.25 0.5 ] [ 0.25 0.75 0.5 ] [ 0.25 0.25 0.5 ] [ 0.75 0.75 0.5 ] [ 0.5 0 0.778335 ] [ 0.5 0 0.221665 ] [ 0 0.5 0.221665 ] [ 0 0.5 0.778335 ] [ 0.793024 0.293024 0.789803 ] [ 0.706976 0.206976 0.210197 ] [ 0.206976 0.706976 0.789803 ] [ 0.293024 0.793024 0.210197 ] [ 0.706976 0.793024 0.789803 ] [ 0.206976 0.293024 0.210197 ] [ 0.793024 0.706976 0.210197 ] [ 0.293024 0.206976 0.789803 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ag" "Ag" "Ag" "Ag" "Hg" "Hg" "Hg" "Hg" "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" 6.98469817 "source-unit" "angstrom" } "c" { "source-value" 7.15844021 "source-unit" "angstrom" } }