{ "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 0 ] [ 0.5 0.5 0 ] [ 0.169069 0 0.269668 ] [ 0.230813 0.5 0.099665 ] [ 0.245738 0 0.585127 ] [ 0.754262 0 0.414873 ] [ 0.769187 0.5 0.900335 ] [ 0.830931 0 0.730332 ] [ 0 0.5 0.5 ] [ 0.669069 0.5 0.269668 ] [ 0.730813 0 0.099665 ] [ 0.745738 0.5 0.585127 ] [ 0.254262 0.5 0.414873 ] [ 0.269187 0 0.900335 ] [ 0.330931 0.5 0.730332 ] [ 0.5 0 0.5 ] [ 0.079319 0.5 0.74653 ] [ 0.920681 0.5 0.25347 ] [ 0.579319 0 0.74653 ] [ 0.420681 0 0.25347 ] [ 0.105303 0.5 0.259921 ] [ 0.170631 0.5 0.588792 ] [ 0.197314 0.5 0.892745 ] [ 0.802686 0.5 0.107255 ] [ 0.829369 0.5 0.411208 ] [ 0.894697 0.5 0.740079 ] [ 0.605303 0 0.259921 ] [ 0.670631 0 0.588792 ] [ 0.697314 0 0.892745 ] [ 0.302686 0 0.107255 ] [ 0.329369 0 0.411208 ] [ 0.394697 0 0.740079 ] ] } "species" { "source-value" [ "Rb" "Rb" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "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" 10.07822345 "source-unit" "angstrom" } "b" { "source-value" 3.68581393 "source-unit" "angstrom" } "c" { "source-value" 10.06262718 "source-unit" "angstrom" } "beta" { "source-value" 92.44584041 "source-unit" "degree" } }