{ "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 0.700911 0.75 ] [ 0 0.299089 0.25 ] [ 0.5 0.200911 0.75 ] [ 0.5 0.799089 0.25 ] [ 0 0.099964 0.75 ] [ 0 0.900036 0.25 ] [ 0.5 0.599964 0.75 ] [ 0.5 0.400036 0.25 ] [ 0.290606 0.09071 0.230776 ] [ 0.709394 0.90929 0.769224 ] [ 0.709394 0.09071 0.269224 ] [ 0.290606 0.90929 0.730776 ] [ 0.790606 0.59071 0.230776 ] [ 0.209394 0.40929 0.769224 ] [ 0.209394 0.59071 0.269224 ] [ 0.790606 0.40929 0.730776 ] [ 0.648582 0.008524 0.49227 ] [ 0.351418 0.008524 0.00773 ] [ 0.351418 0.991476 0.50773 ] [ 0.648582 0.991476 0.99227 ] [ 0.140903 0.757377 0.198428 ] [ 0.859097 0.757377 0.301572 ] [ 0.859097 0.242623 0.801572 ] [ 0.140903 0.242623 0.698428 ] [ 0.887997 0.921608 0.867119 ] [ 0.112003 0.921608 0.632881 ] [ 0.112003 0.078392 0.132881 ] [ 0.887997 0.078392 0.367119 ] [ 0.148582 0.508524 0.49227 ] [ 0.851418 0.508524 0.00773 ] [ 0.851418 0.491476 0.50773 ] [ 0.148582 0.491476 0.99227 ] [ 0.640903 0.257377 0.198428 ] [ 0.359097 0.257377 0.301572 ] [ 0.359097 0.742623 0.801572 ] [ 0.640903 0.742623 0.698428 ] [ 0.387997 0.421608 0.867119 ] [ 0.612003 0.421608 0.632881 ] [ 0.612003 0.578392 0.132881 ] [ 0.387997 0.578392 0.367119 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Ga" "Ga" "Ga" "Ga" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 9.71962042 "source-unit" "angstrom" } "b" { "source-value" 8.82463725 "source-unit" "angstrom" } "c" { "source-value" 5.34421825 "source-unit" "angstrom" } "beta" { "source-value" 107.95022768 "source-unit" "degree" } }