{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.813248 0 0.362429 ] [ 0.186752 0 0.637571 ] [ 0.313248 0.5 0.362429 ] [ 0.686752 0.5 0.637571 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.969851 0 0.30222 ] [ 0.030149 0 0.69778 ] [ 0.165158 0.5 0.129764 ] [ 0.834842 0.5 0.870236 ] [ 0.196371 0.5 0.564306 ] [ 0.803629 0.5 0.435694 ] [ 0.469851 0.5 0.30222 ] [ 0.530149 0.5 0.69778 ] [ 0.665158 0 0.129764 ] [ 0.334842 0 0.870236 ] [ 0.696371 0 0.564306 ] [ 0.303629 0 0.435694 ] ] } "species" { "source-value" [ "V" "V" "V" "V" "Cd" "Cd" "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" 9.57092696149 "source-unit" "angstrom" } "b" { "source-value" 3.61384815422 "source-unit" "angstrom" } "c" { "source-value" 7.08481306287 "source-unit" "angstrom" } "beta" { "source-value" 112.474658198 "source-unit" "degree" } }