{ "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" [ [ 0.709058 0 0.608664 ] [ 0.290942 0 0.391336 ] [ 0.088836 0.5 0.834063 ] [ 0.911164 0.5 0.165937 ] [ 0 0 0 ] [ 0.209058 0.5 0.608664 ] [ 0.790942 0.5 0.391336 ] [ 0.588836 0 0.834063 ] [ 0.411164 0 0.165937 ] [ 0.5 0.5 0 ] [ 0.780192 0.5 0.824104 ] [ 0.219808 0.5 0.175896 ] [ 0.003601 0 0.608353 ] [ 0.996399 0 0.391647 ] [ 0.280192 0 0.824104 ] [ 0.719808 0 0.175896 ] [ 0.503601 0.5 0.608353 ] [ 0.496399 0.5 0.391647 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 12.5655117471 "source-unit" "angstrom" } "b" { "source-value" 5.53623831097 "source-unit" "angstrom" } "c" { "source-value" 13.5196505029 "source-unit" "angstrom" } "beta" { "source-value" 128.248582594 "source-unit" "degree" } }