{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.992431 0.965742 0.250541 ] [ 0.507569 0.465742 0.249459 ] [ 0.492431 0.534258 0.750541 ] [ 0.007569 0.034258 0.749459 ] [ 0.5 0 0.5 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0 0.5 0.5 ] [ 0.571672 0.982111 0.764449 ] [ 0.928328 0.482111 0.735551 ] [ 0.428328 0.017889 0.235551 ] [ 0.071672 0.517889 0.264449 ] [ 0.22941 0.798106 0.962935 ] [ 0.27059 0.298106 0.537065 ] [ 0.77059 0.201894 0.037065 ] [ 0.72941 0.701894 0.462935 ] [ 0.699408 0.728143 0.038954 ] [ 0.800592 0.228143 0.461046 ] [ 0.300592 0.271857 0.961046 ] [ 0.199408 0.771857 0.538954 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Er" "Er" "Ru" "Ru" "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" 5.79670015313 "source-unit" "angstrom" } "b" { "source-value" 5.84773513 "source-unit" "angstrom" } "c" { "source-value" 8.21791354974 "source-unit" "angstrom" } "beta" { "source-value" 90.3172776108 "source-unit" "degree" } }