{ "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 0.75 ] [ 0.5 0 0.25 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.272876 0.920942 0.889522 ] [ 0.920942 0.727124 0.110478 ] [ 0.079058 0.272876 0.110478 ] [ 0.727124 0.079058 0.889522 ] [ 0.772876 0.420942 0.389522 ] [ 0.420942 0.227124 0.610478 ] [ 0.579058 0.772876 0.610478 ] [ 0.227124 0.579058 0.389522 ] [ 0.156544 0.877942 0.712212 ] [ 0.877942 0.843456 0.287788 ] [ 0.122058 0.156544 0.287788 ] [ 0.843456 0.122058 0.712212 ] [ 0.656544 0.377942 0.212212 ] [ 0.377942 0.343456 0.787788 ] [ 0.622058 0.656544 0.787788 ] [ 0.343456 0.622058 0.212212 ] [ 0.358796 0.949872 0.013166 ] [ 0.949872 0.641204 0.986834 ] [ 0.050128 0.358796 0.986834 ] [ 0.641204 0.050128 0.013166 ] [ 0.858796 0.449872 0.513166 ] [ 0.449872 0.141204 0.486834 ] [ 0.550128 0.858796 0.486834 ] [ 0.141204 0.550128 0.513166 ] ] } "species" { "source-value" [ "Mn" "Mn" "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" 11.42252348 "source-unit" "angstrom" } "c" { "source-value" 4.60228762 "source-unit" "angstrom" } }