{ "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" [ [ 0.25 0.75 0 ] [ 0.75 0.75 0 ] [ 0 0 0.5 ] [ 0.75 0.25 0 ] [ 0.25 0.25 0 ] [ 0.5 0.5 0.5 ] [ 0 0 0 ] [ 0.25 0.25 0.5 ] [ 0.25 0.75 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] [ 0.75 0.75 0.5 ] [ 0.75 0.25 0.5 ] [ 0 0.5 0.5 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0.239174 0.5 0.245876 ] [ 0.50641 0.771092 0.776243 ] [ 0.00641 0.728908 0.776243 ] [ 0.760826 0.5 0.754124 ] [ 0.24921 0 0.271271 ] [ 0.49359 0.228908 0.223757 ] [ 0.99359 0.271092 0.223757 ] [ 0.75079 0 0.728729 ] [ 0.739174 0 0.245876 ] [ 0.00641 0.271092 0.776243 ] [ 0.50641 0.228908 0.776243 ] [ 0.260826 0 0.754124 ] [ 0.74921 0.5 0.271271 ] [ 0.99359 0.728908 0.223757 ] [ 0.49359 0.771092 0.223757 ] [ 0.25079 0.5 0.728729 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Sb" "Sb" "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" 10.40058695 "source-unit" "angstrom" } "b" { "source-value" 6.29796649 "source-unit" "angstrom" } "c" { "source-value" 6.28245667 "source-unit" "angstrom" } "beta" { "source-value" 125.90828488 "source-unit" "degree" } }