{ "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" [ [ 0.161992 0.871039 0.014817 ] [ 0.161992 0.628961 0.514817 ] [ 0.838008 0.371039 0.485183 ] [ 0.838008 0.128961 0.985183 ] [ 0.315555 0.566687 0.191175 ] [ 0.462901 0.83983 0.395699 ] [ 0.537099 0.33983 0.104301 ] [ 0.684445 0.433313 0.808825 ] [ 0.462901 0.66017 0.895699 ] [ 0.315555 0.933313 0.691175 ] [ 0.684445 0.066687 0.308825 ] [ 0.537099 0.16017 0.604301 ] [ 0.263661 0.710311 0.326336 ] [ 0.263661 0.789689 0.826336 ] [ 0.672475 0.949024 0.474132 ] [ 0.672475 0.550976 0.974132 ] [ 0.736339 0.210311 0.173664 ] [ 0.327525 0.449024 0.025868 ] [ 0.736339 0.289689 0.673664 ] [ 0.327525 0.050976 0.525868 ] [ 0.360413 0.024012 0.144092 ] [ 0.639587 0.975988 0.855908 ] [ 0.639587 0.524012 0.355908 ] [ 0.039558 0.058871 0.861264 ] [ 0.960442 0.558871 0.638736 ] [ 0.960442 0.941129 0.138736 ] [ 0.039558 0.441129 0.361264 ] [ 0.360413 0.475988 0.644092 ] ] } "species" { "source-value" [ "Sn" "Sn" "Sn" "Sn" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "S" "S" "S" "S" "S" "S" "S" "S" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 10.5103158157 "source-unit" "angstrom" } "b" { "source-value" 10.27694299 "source-unit" "angstrom" } "c" { "source-value" 11.9706476746 "source-unit" "angstrom" } "beta" { "source-value" 108.582430885 "source-unit" "degree" } }