{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4/mmm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0.169391 ] [ 0.5 0.5 0.830609 ] [ 0 0 0.669391 ] [ 0 0 0.330609 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0 0 0.858389 ] [ 0 0 0.141611 ] [ 0.5 0.5 0.358389 ] [ 0.5 0.5 0.641611 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Hg" "Hg" "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" 3.99505624369 "source-unit" "angstrom" } "c" { "source-value" 14.1625789206 "source-unit" "angstrom" } }