{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.234301 0.393419 0.842009 ] [ 0.603373 0.384818 0.923692 ] [ 0.606408 0.655217 0.10215 ] [ 0.765699 0.893419 0.157991 ] [ 0.396627 0.884818 0.076308 ] [ 0.393592 0.155217 0.89785 ] [ 0.857073 0.27223 0.413197 ] [ 0.142927 0.77223 0.586803 ] [ 0.32068 0.773388 0.398439 ] [ 0.67932 0.273388 0.601561 ] [ 0.55728 0.804352 0.147387 ] [ 0.44272 0.304352 0.852613 ] [ 0.570905 0.282188 0.715153 ] [ 0.429095 0.782188 0.284847 ] [ 0.94073 0.780297 0.811854 ] [ 0.05927 0.280297 0.188146 ] ] } "species" { "source-value" [ "H" "H" "H" "H" "H" "H" "Au" "Au" "C" "C" "C" "C" "N" "N" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.4335239832 "source-unit" "angstrom" } "b" { "source-value" 6.62326658 "source-unit" "angstrom" } "c" { "source-value" 9.26181002436 "source-unit" "angstrom" } "beta" { "source-value" 91.1954314594 "source-unit" "degree" } }