{ "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" [ [ 0.978635 0.900899 0.198334 ] [ 0.978635 0.599101 0.698334 ] [ 0.835637 0.11904 0.411079 ] [ 0.662403 0.622596 0.063977 ] [ 0.835637 0.38096 0.911079 ] [ 0.662403 0.877404 0.563977 ] [ 0.522154 0.388094 0.279193 ] [ 0.477846 0.888094 0.220807 ] [ 0.522154 0.111906 0.779193 ] [ 0.477846 0.611906 0.720807 ] [ 0.337597 0.122596 0.436023 ] [ 0.164363 0.61904 0.088921 ] [ 0.337597 0.377404 0.936023 ] [ 0.164363 0.88096 0.588921 ] [ 0.021365 0.400899 0.301666 ] [ 0.021365 0.099101 0.801666 ] [ 0.790374 0.678004 0.375024 ] [ 0.657795 0.174339 0.107806 ] [ 0.790374 0.821996 0.875024 ] [ 0.657795 0.325661 0.607806 ] [ 0.342205 0.674339 0.392194 ] [ 0.209626 0.178004 0.124976 ] [ 0.342205 0.825661 0.892194 ] [ 0.209626 0.321996 0.624976 ] [ 0.933943 0.765155 0.026687 ] [ 0.92189 0.491711 0.105227 ] [ 0.791288 0.262513 0.247808 ] [ 0.763073 0.760888 0.226422 ] [ 0.933943 0.734845 0.526687 ] [ 0.92189 0.008289 0.605227 ] [ 0.700726 0.014399 0.17034 ] [ 0.788072 0.511058 0.343357 ] [ 0.791288 0.237487 0.747808 ] [ 0.763073 0.739112 0.726422 ] [ 0.637491 0.269776 0.452666 ] [ 0.700726 0.485601 0.67034 ] [ 0.569231 0.750659 0.390196 ] [ 0.435742 0.509885 0.106599 ] [ 0.788072 0.988942 0.843357 ] [ 0.564258 0.009885 0.393401 ] [ 0.430769 0.250659 0.109804 ] [ 0.362509 0.769776 0.047334 ] [ 0.637491 0.230224 0.952666 ] [ 0.569231 0.749341 0.890196 ] [ 0.435742 0.990115 0.606599 ] [ 0.211928 0.011058 0.156643 ] [ 0.564258 0.490115 0.893401 ] [ 0.430769 0.249341 0.609804 ] [ 0.299274 0.514399 0.32966 ] [ 0.362509 0.730224 0.547334 ] [ 0.236927 0.260888 0.273578 ] [ 0.208712 0.762513 0.252192 ] [ 0.211928 0.488942 0.656643 ] [ 0.299274 0.985601 0.82966 ] [ 0.07811 0.991711 0.394773 ] [ 0.066057 0.265155 0.473313 ] [ 0.236927 0.239112 0.773578 ] [ 0.208712 0.737487 0.752192 ] [ 0.07811 0.508289 0.894773 ] [ 0.066057 0.234845 0.973313 ] ] } "species" { "source-value" [ "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 7.46960179 "source-unit" "angstrom" } "b" { "source-value" 10.72178979 "source-unit" "angstrom" } "c" { "source-value" 11.41510579 "source-unit" "angstrom" } "beta" { "source-value" 108.15750971 "source-unit" "degree" } }