{ "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" [ [ 0.014806 0.142189 0.155953 ] [ 0.985194 0.857811 0.844047 ] [ 0.485194 0.642189 0.344047 ] [ 0.514806 0.357811 0.655953 ] [ 0.957041 0.827335 0.562046 ] [ 0.457041 0.672665 0.062046 ] [ 0.542959 0.327335 0.937954 ] [ 0.042959 0.172665 0.437954 ] [ 0.289729 0.016502 0.130894 ] [ 0.710271 0.983498 0.869106 ] [ 0.54878 0.57362 0.230259 ] [ 0.210271 0.516502 0.369106 ] [ 0.800949 0.013274 0.082917 ] [ 0.52744 0.026053 0.638525 ] [ 0.300949 0.486726 0.582917 ] [ 0.95122 0.07362 0.269741 ] [ 0.789729 0.483498 0.630894 ] [ 0.02744 0.473947 0.138525 ] [ 0.47256 0.973947 0.361475 ] [ 0.45122 0.42638 0.769741 ] [ 0.97256 0.526053 0.861475 ] [ 0.04878 0.92638 0.730259 ] [ 0.699051 0.513274 0.417083 ] [ 0.199051 0.986726 0.917083 ] ] } "species" { "source-value" [ "Re" "Re" "Re" "Re" "Hg" "Hg" "Hg" "Hg" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.8251039981 "source-unit" "angstrom" } "b" { "source-value" 5.20278675 "source-unit" "angstrom" } "c" { "source-value" 14.6396440032 "source-unit" "angstrom" } "beta" { "source-value" 91.6086238206 "source-unit" "degree" } }