{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.729984 0.14475 0.340206 ] [ 0.77134 0.633753 0.868329 ] [ 0.22866 0.366247 0.131671 ] [ 0.270016 0.85525 0.659794 ] [ 0.770016 0.64475 0.159794 ] [ 0.229984 0.35525 0.840206 ] [ 0.27134 0.866247 0.368329 ] [ 0.72866 0.133753 0.631671 ] [ 0.283052 0.41181 0.269988 ] [ 0.155514 0.303536 0.984924 ] [ 0.216948 0.91181 0.230012 ] [ 0.715416 0.608427 0.296888 ] [ 0.783052 0.08819 0.769988 ] [ 0.716948 0.58819 0.730012 ] [ 0.655514 0.196464 0.484924 ] [ 0.215416 0.891573 0.796888 ] [ 0.784584 0.108427 0.203112 ] [ 0.284584 0.391573 0.703112 ] [ 0.344486 0.803536 0.515076 ] [ 0.844486 0.696464 0.015076 ] ] } "species" { "source-value" [ "Cd" "Cd" "C" "C" "C" "C" "C" "C" "C" "C" "N" "N" "N" "N" "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" 6.36978980804 "source-unit" "angstrom" } "b" { "source-value" 7.62051639 "source-unit" "angstrom" } "c" { "source-value" 7.8103288064 "source-unit" "angstrom" } "beta" { "source-value" 92.6366101876 "source-unit" "degree" } }