{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.719475 0.75 0.599471 ] [ 0.280525 0.25 0.400529 ] [ 0.735399 0.25 0.149552 ] [ 0.264601 0.75 0.850448 ] [ 0.54221 0.25 0.28303 ] [ 0.972819 0.75 0.361973 ] [ 0.027181 0.25 0.638027 ] [ 0.202841 0.75 0.09374 ] [ 0.45779 0.75 0.71697 ] [ 0.797159 0.25 0.90626 ] [ 0.816995 0.75 0.331165 ] [ 0.900028 0.25 0.062268 ] [ 0.503649 0.25 0.125405 ] [ 0.099972 0.75 0.937732 ] [ 0.183005 0.25 0.668835 ] [ 0.496351 0.75 0.874595 ] [ 0.915914 0.25 0.616288 ] [ 0.7291 0.25 0.794267 ] [ 0.568304 0.25 0.39465 ] [ 0.2709 0.75 0.205733 ] [ 0.084086 0.75 0.383712 ] [ 0.431696 0.75 0.60535 ] ] } "species" { "source-value" [ "K" "K" "Hg" "Hg" "C" "C" "C" "C" "C" "C" "S" "S" "S" "S" "S" "S" "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" 11.398816228 "source-unit" "angstrom" } "b" { "source-value" 4.17010016 "source-unit" "angstrom" } "c" { "source-value" 11.4573166758 "source-unit" "angstrom" } "beta" { "source-value" 115.607548557 "source-unit" "degree" } }