{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0.742664 0.847468 0.786711 ] [ 0.257336 0.847468 0.713289 ] [ 0.257336 0.152532 0.213289 ] [ 0.742664 0.152532 0.286711 ] [ 0.242664 0.347468 0.786711 ] [ 0.757336 0.347468 0.713289 ] [ 0.757336 0.652532 0.213289 ] [ 0.242664 0.652532 0.286711 ] [ 0.38516 0.045836 0.534594 ] [ 0.61484 0.045836 0.965406 ] [ 0.61484 0.954164 0.465406 ] [ 0.38516 0.954164 0.034594 ] [ 0 0.695218 0.75 ] [ 0 0.304782 0.25 ] [ 0.88516 0.545836 0.534594 ] [ 0.11484 0.545836 0.965406 ] [ 0.11484 0.454164 0.465406 ] [ 0.88516 0.454164 0.034594 ] [ 0.5 0.195218 0.75 ] [ 0.5 0.804782 0.25 ] [ 0 0.138678 0.75 ] [ 0 0.861322 0.25 ] [ 0.5 0.638678 0.75 ] [ 0.5 0.361322 0.25 ] ] } "species" { "source-value" [ "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.11715992477 "source-unit" "angstrom" } "b" { "source-value" 9.15424472 "source-unit" "angstrom" } "c" { "source-value" 7.64860640947 "source-unit" "angstrom" } "beta" { "source-value" 100.577959713 "source-unit" "degree" } }