{ "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 0 0 ] [ 0.5 0.5 0.5 ] [ 0 0 0.332271 ] [ 0 0 0.667729 ] [ 0.5 0.5 0.167729 ] [ 0.5 0.5 0.832271 ] [ 0.199235 0.800765 0.824368 ] [ 0.199235 0.800765 0.175632 ] [ 0.184646 0.815354 0.5 ] [ 0.315354 0.315354 0 ] [ 0.300765 0.300765 0.324368 ] [ 0.300765 0.300765 0.675632 ] [ 0.699235 0.699235 0.324368 ] [ 0.699235 0.699235 0.675632 ] [ 0.684646 0.684646 0 ] [ 0.815354 0.184646 0.5 ] [ 0.800765 0.199235 0.175632 ] [ 0.800765 0.199235 0.824368 ] ] } "species" { "source-value" [ "Hg" "Hg" "Bi" "Bi" "Bi" "Bi" "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" 5.08321932 "source-unit" "angstrom" } "c" { "source-value" 10.50146881 "source-unit" "angstrom" } }