{ "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" [ [ 0.246338 0.648162 0.779337 ] [ 0.246338 0.351838 0.279337 ] [ 0.253662 0.148162 0.720663 ] [ 0.253662 0.851838 0.220663 ] [ 0.746338 0.148162 0.779337 ] [ 0.746338 0.851838 0.279337 ] [ 0.753662 0.648162 0.720663 ] [ 0.753662 0.351838 0.220663 ] [ 0.5 0.194984 0.25 ] [ 0.5 0.805016 0.75 ] [ 0.612863 0.04566 0.459886 ] [ 0.612863 0.95434 0.959886 ] [ 0.387137 0.95434 0.540114 ] [ 0.387137 0.04566 0.040114 ] [ 0 0.694984 0.25 ] [ 0 0.305016 0.75 ] [ 0.112863 0.54566 0.459886 ] [ 0.112863 0.45434 0.959886 ] [ 0.887137 0.45434 0.540114 ] [ 0.887137 0.54566 0.040114 ] [ 0 0.874188 0.75 ] [ 0 0.125812 0.25 ] [ 0.5 0.374188 0.75 ] [ 0.5 0.625812 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" "Br" "Br" "Br" "Br" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.22079881435 "source-unit" "angstrom" } "b" { "source-value" 9.22500184493 "source-unit" "angstrom" } "c" { "source-value" 7.65239349456 "source-unit" "angstrom" } "beta" { "source-value" 100.085982056 "source-unit" "degree" } }