{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I-4" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0.25 ] [ 0.5 0 0.75 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.924591 0.27985 0.898376 ] [ 0.27985 0.075409 0.101624 ] [ 0.72015 0.924591 0.101624 ] [ 0.075409 0.72015 0.898376 ] [ 0.424591 0.77985 0.398376 ] [ 0.77985 0.575409 0.601624 ] [ 0.22015 0.424591 0.601624 ] [ 0.575409 0.22015 0.398376 ] [ 0.882167 0.163437 0.716541 ] [ 0.163437 0.117833 0.283459 ] [ 0.836563 0.882167 0.283459 ] [ 0.117833 0.836563 0.716541 ] [ 0.382167 0.663437 0.216541 ] [ 0.663437 0.617833 0.783459 ] [ 0.336563 0.382167 0.783459 ] [ 0.617833 0.336563 0.216541 ] [ 0.953022 0.365779 0.025715 ] [ 0.365779 0.046978 0.974285 ] [ 0.634221 0.953022 0.974285 ] [ 0.046978 0.634221 0.025715 ] [ 0.453022 0.865779 0.525715 ] [ 0.865779 0.546978 0.474285 ] [ 0.134221 0.453022 0.474285 ] [ 0.546978 0.134221 0.525715 ] ] } "species" { "source-value" [ "Co" "Co" "Hg" "Hg" "C" "C" "C" "C" "C" "C" "C" "C" "S" "S" "S" "S" "S" "S" "S" "S" "N" "N" "N" "N" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 11.2059560483 "source-unit" "angstrom" } "c" { "source-value" 4.74588368941 "source-unit" "angstrom" } }