{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm" } "basis-atom-coordinates" { "source-value" [ [ 0.232245 0.870703 0.547246 ] [ 0.232245 0.129297 0.547246 ] [ 0.732245 0.370703 0.547246 ] [ 0.732245 0.629297 0.547246 ] [ 0.000091 0 0.999104 ] [ 0.880244 0.806218 0.920015 ] [ 0.880244 0.193782 0.920015 ] [ 0.500091 0.5 0.999104 ] [ 0.380244 0.306218 0.920015 ] [ 0.380244 0.693782 0.920015 ] [ 0.338573 0 0.260208 ] [ 0.91287 0 0.642902 ] [ 0.285604 0.805208 0.053237 ] [ 0.285604 0.194792 0.053237 ] [ 0.734677 0.805737 0.560511 ] [ 0.734677 0.194263 0.560511 ] [ 0.78427 0.097948 0.100059 ] [ 0.78427 0.902052 0.100059 ] [ 0.838573 0.5 0.260208 ] [ 0.41287 0.5 0.642902 ] [ 0.785604 0.305208 0.053237 ] [ 0.785604 0.694792 0.053237 ] [ 0.234677 0.305737 0.560511 ] [ 0.234677 0.694263 0.560511 ] [ 0.28427 0.597948 0.100059 ] [ 0.28427 0.402052 0.100059 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.58676866558 "source-unit" "angstrom" } "b" { "source-value" 22.8252075167 "source-unit" "angstrom" } "c" { "source-value" 8.10485502007 "source-unit" "angstrom" } "beta" { "source-value" 108.427735095 "source-unit" "degree" } }