{ "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" [ [ 0.119582 0.5 0.457014 ] [ 0.659864 0.5 0.797329 ] [ 0.340136 0.5 0.202671 ] [ 0.880418 0.5 0.542986 ] [ 0.619582 0 0.457014 ] [ 0.159864 0 0.797329 ] [ 0.840136 0 0.202671 ] [ 0.380418 0 0.542986 ] [ 0.883906 0 0.83664 ] [ 0.116094 0 0.16336 ] [ 0.383906 0.5 0.83664 ] [ 0.616094 0.5 0.16336 ] [ 0.726235 0.5 0.607903 ] [ 0.797394 0 0.941633 ] [ 0.037322 0 0.278918 ] [ 0.58198 0 0.654914 ] [ 0.41802 0 0.345086 ] [ 0.962678 0 0.721082 ] [ 0.202606 0 0.058367 ] [ 0.273765 0.5 0.392097 ] [ 0.226235 0 0.607903 ] [ 0.297394 0.5 0.941633 ] [ 0.537322 0.5 0.278918 ] [ 0.08198 0.5 0.654914 ] [ 0.91802 0.5 0.345086 ] [ 0.462678 0.5 0.721082 ] [ 0.702606 0.5 0.058367 ] [ 0.773765 0 0.392097 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "La" "La" "La" "La" "Hg" "Hg" "Hg" "Hg" "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" 14.1932933 "source-unit" "angstrom" } "b" { "source-value" 3.9467381 "source-unit" "angstrom" } "c" { "source-value" 10.47162341 "source-unit" "angstrom" } "beta" { "source-value" 120.34507093 "source-unit" "degree" } }