{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/mbm" } "basis-atom-coordinates" { "source-value" [ [ 0.319422 0.819422 0.5 ] [ 0.819422 0.680578 0.5 ] [ 0.180578 0.319422 0.5 ] [ 0.680578 0.180578 0.5 ] [ 0.935778 0.203327 0 ] [ 0.796673 0.935778 0 ] [ 0.296673 0.564222 0 ] [ 0.703327 0.435778 0 ] [ 0.564222 0.703327 0 ] [ 0.435778 0.296673 0 ] [ 0.064222 0.796673 0 ] [ 0.203327 0.064222 0 ] [ 0 0.5 0 ] [ 0.5 0 0 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "Hg" "Hg" "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" 10.00513955 "source-unit" "angstrom" } "c" { "source-value" 3.01698586 "source-unit" "angstrom" } }