{ "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" [ [ 0.789747 0.5 0.30565 ] [ 0.210253 0.5 0.69435 ] [ 0.289747 0 0.30565 ] [ 0.710253 0 0.69435 ] [ 0.087104 0 0.368448 ] [ 0.912896 0 0.631552 ] [ 0.098065 0 0.979869 ] [ 0.901935 0 0.020131 ] [ 0.587104 0.5 0.368448 ] [ 0.412896 0.5 0.631552 ] [ 0.598065 0.5 0.979869 ] [ 0.401935 0.5 0.020131 ] [ 0.004227 0 0.154028 ] [ 0.909151 0.5 0.007623 ] [ 0.07832 0.5 0.35629 ] [ 0.92168 0.5 0.64371 ] [ 0 0 0.5 ] [ 0.171585 0 0.513546 ] [ 0.828415 0 0.486454 ] [ 0.173237 0 0.850726 ] [ 0.847375 0 0.806665 ] [ 0.090849 0.5 0.992377 ] [ 0.995773 0 0.845972 ] [ 0.826763 0 0.149274 ] [ 0.152625 0 0.193335 ] [ 0.504227 0.5 0.154028 ] [ 0.409151 0 0.007623 ] [ 0.57832 0 0.35629 ] [ 0.42168 0 0.64371 ] [ 0.5 0.5 0.5 ] [ 0.671585 0.5 0.513546 ] [ 0.328415 0.5 0.486454 ] [ 0.673237 0.5 0.850726 ] [ 0.347375 0.5 0.806665 ] [ 0.590849 0 0.992377 ] [ 0.495773 0.5 0.845972 ] [ 0.326763 0.5 0.149274 ] [ 0.652625 0.5 0.193335 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "W" "W" "W" "W" "W" "W" "W" "W" "O" "O" "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" 16.9676042566 "source-unit" "angstrom" } "b" { "source-value" 3.85188999943 "source-unit" "angstrom" } "c" { "source-value" 8.53469644221 "source-unit" "angstrom" } "beta" { "source-value" 96.4658278089 "source-unit" "degree" } }