{ "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 0.176471 ] [ 0.5 0.5 0.823529 ] [ 0 0 0.676471 ] [ 0 0 0.323529 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0 0 0.851067 ] [ 0 0 0.148933 ] [ 0.5 0.5 0.351067 ] [ 0.5 0.5 0.648933 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "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" 3.46870569014 "source-unit" "angstrom" } "c" { "source-value" 13.5186900172 "source-unit" "angstrom" } }