{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pc" } "basis-atom-coordinates" { "source-value" [ [ 0.429625 0.41013 0.900049 ] [ 0.929625 0.58987 0.900049 ] [ 0.29133 0.745305 0.472291 ] [ 0.055779 0.171691 0.24263 ] [ 0.79133 0.254695 0.472291 ] [ 0.555779 0.828309 0.24263 ] [ 0.192339 0.362344 0.277245 ] [ 0.182725 0.973984 0.308162 ] [ 0.692339 0.637656 0.277245 ] [ 0.682725 0.026016 0.308162 ] [ 0.094224 0.850111 0.708895 ] [ 0.335752 0.05092 0.924368 ] [ 0.835752 0.94908 0.924368 ] [ 0.594224 0.149889 0.708895 ] [ 0.688068 0.745871 0.624411 ] [ 0.188068 0.254129 0.624411 ] [ 0.467654 0.837024 0.904927 ] [ 0.644609 0.238534 0.069468 ] [ 0.144609 0.761466 0.069468 ] [ 0.967654 0.162976 0.904927 ] [ 0.441429 0.522885 0.433337 ] [ 0.452951 0.939908 0.587352 ] [ 0.941429 0.477115 0.433337 ] [ 0.952951 0.060092 0.587352 ] [ 0.908113 0.822464 0.311559 ] [ 0.585034 0.597948 0.86007 ] [ 0.085034 0.402052 0.86007 ] [ 0.408113 0.177536 0.311559 ] [ 0.132348 0.598665 0.623639 ] [ 0.632348 0.401335 0.623639 ] [ 0.261906 0.553789 0.061392 ] [ 0.761906 0.446211 0.061392 ] [ 0.390922 0.566713 0.916462 ] [ 0.402123 0.065989 0.24481 ] [ 0.902123 0.934011 0.24481 ] [ 0.890922 0.433287 0.916462 ] [ 0.798205 0.095007 0.856636 ] [ 0.689563 0.559024 0.052106 ] [ 0.189563 0.440976 0.052106 ] [ 0.298205 0.904993 0.856636 ] [ 0.586741 0.477056 0.768867 ] [ 0.604846 0.902207 0.028505 ] [ 0.086741 0.522944 0.768867 ] [ 0.104846 0.097793 0.028505 ] [ 0.652712 0.289185 0.671906 ] [ 0.564588 0.929804 0.419461 ] [ 0.064588 0.070196 0.419461 ] [ 0.152712 0.710815 0.671906 ] [ 0.752043 0.628727 0.755699 ] [ 0.608443 0.217242 0.274274 ] [ 0.108443 0.782758 0.274274 ] [ 0.252043 0.371273 0.755699 ] [ 0.389734 0.195977 0.511499 ] [ 0.529187 0.730115 0.418921 ] [ 0.029187 0.269885 0.418921 ] [ 0.889734 0.804023 0.511499 ] [ 0.94206 0.96108 0.689103 ] [ 0.140992 0.450466 0.443371 ] [ 0.640992 0.549534 0.443371 ] [ 0.44206 0.03892 0.689103 ] [ 0.830179 0.408849 0.553891 ] [ 0.119933 0.641078 0.053898 ] [ 0.619933 0.358922 0.053898 ] [ 0.330179 0.591151 0.553891 ] [ 0.369473 0.551964 0.241728 ] [ 0.767156 0.10802 0.512216 ] [ 0.869473 0.448036 0.241728 ] [ 0.267156 0.89198 0.512216 ] [ 0.774715 0.756236 0.201764 ] [ 0.064797 0.135371 0.714932 ] [ 0.274715 0.243764 0.201764 ] [ 0.564797 0.864629 0.714932 ] [ 0.966547 0.593474 0.473067 ] [ 0.466547 0.406526 0.473067 ] [ 0.007661 0.818239 0.946917 ] [ 0.507661 0.181761 0.946917 ] [ 0.352522 0.785022 0.082677 ] [ 0.030971 0.278745 0.857494 ] [ 0.852522 0.214978 0.082677 ] [ 0.530971 0.721255 0.857494 ] ] } "species" { "source-value" [ "Li" "Li" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Sc" "Sc" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "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" "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" 7.82860299 "source-unit" "angstrom" } "b" { "source-value" 14.03478518 "source-unit" "angstrom" } "c" { "source-value" 7.94350307 "source-unit" "angstrom" } "beta" { "source-value" 93.72698279 "source-unit" "degree" } }