{ "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 0.5 0 ] [ 0.168387 0 0.335924 ] [ 0.331613 0.5 0.664076 ] [ 0.5 0 0 ] [ 0.668387 0.5 0.335924 ] [ 0.831613 0 0.664076 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.168077 0 0.831867 ] [ 0.331923 0.5 0.168133 ] [ 0.668077 0.5 0.831867 ] [ 0.831923 0 0.168133 ] [ 0.162471 0.5 0.595447 ] [ 0.324801 0 0.92349 ] [ 0.337529 0 0.404553 ] [ 0.98924 0 0.256393 ] [ 0.01076 0 0.743607 ] [ 0.175199 0.5 0.07651 ] [ 0.662471 0 0.595447 ] [ 0.824801 0.5 0.92349 ] [ 0.837529 0.5 0.404553 ] [ 0.48924 0.5 0.256393 ] [ 0.51076 0.5 0.743607 ] [ 0.675199 0 0.07651 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Cu" "Cu" "Ni" "Ni" "Ni" "Ni" "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" 12.3878885 "source-unit" "angstrom" } "b" { "source-value" 2.9366422 "source-unit" "angstrom" } "c" { "source-value" 5.87514458 "source-unit" "angstrom" } "beta" { "source-value" 104.51308992 "source-unit" "degree" } }