{ "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" [ [ 0.870833 0.894403 0.122912 ] [ 0.12156 0.494026 0.870197 ] [ 0.089675 0.602128 0.381231 ] [ 0.910325 0.102128 0.118769 ] [ 0.616008 0.295427 0.37885 ] [ 0.639084 0.491041 0.383051 ] [ 0.910325 0.397872 0.618769 ] [ 0.115397 0.198345 0.357049 ] [ 0.639084 0.008959 0.883051 ] [ 0.870833 0.605597 0.622912 ] [ 0.836342 0.199965 0.63092 ] [ 0.360916 0.991041 0.116949 ] [ 0.387102 0.412112 0.13436 ] [ 0.387102 0.087888 0.63436 ] [ 0.089675 0.897872 0.881231 ] [ 0.87844 0.505974 0.129803 ] [ 0.163658 0.699965 0.86908 ] [ 0.367106 0.601618 0.106984 ] [ 0.87844 0.994026 0.629803 ] [ 0.616008 0.204573 0.87885 ] [ 0.367106 0.898382 0.606984 ] [ 0.115397 0.301655 0.857049 ] [ 0.129167 0.105597 0.877088 ] [ 0.884603 0.801655 0.642951 ] [ 0.612898 0.587888 0.86564 ] [ 0.632894 0.398382 0.893016 ] [ 0.360916 0.508959 0.616949 ] [ 0.884603 0.698345 0.142951 ] [ 0.129167 0.394403 0.377088 ] [ 0.632894 0.101618 0.393016 ] [ 0.627983 0.80027 0.876937 ] [ 0.163658 0.800035 0.36908 ] [ 0.612898 0.912112 0.36564 ] [ 0.627983 0.69973 0.376937 ] [ 0.836342 0.300035 0.13092 ] [ 0.383992 0.795427 0.12115 ] [ 0.372017 0.19973 0.123063 ] [ 0.383992 0.704573 0.62115 ] [ 0.12156 0.005974 0.370197 ] [ 0.372017 0.30027 0.623063 ] [ 0.82104 0.394687 0.43769 ] [ 0.930025 0.608235 0.819763 ] [ 0.932599 0.709369 0.325507 ] [ 0.948409 0.495876 0.315529 ] [ 0.820887 0.001915 0.439248 ] [ 0.31861 0.510592 0.4259 ] [ 0.564767 0.896393 0.181973 ] [ 0.777431 0.902978 0.933876 ] [ 0.820887 0.498085 0.939248 ] [ 0.480118 0.802523 0.320202 ] [ 0.549424 0.810325 0.694572 ] [ 0.067401 0.290631 0.674493 ] [ 0.948409 0.004124 0.815529 ] [ 0.079225 0.701503 0.688114 ] [ 0.703505 0.605836 0.051075 ] [ 0.323246 0.807189 0.928253 ] [ 0.839296 0.20043 0.452134 ] [ 0.930025 0.891765 0.319763 ] [ 0.300622 0.287 0.442237 ] [ 0.067401 0.209369 0.174493 ] [ 0.306766 0.906199 0.425974 ] [ 0.564767 0.603607 0.681973 ] [ 0.222569 0.097022 0.066124 ] [ 0.160704 0.70043 0.047866 ] [ 0.296495 0.105836 0.448925 ] [ 0.699378 0.787 0.057763 ] [ 0.051591 0.504124 0.684471 ] [ 0.094908 0.603002 0.201372 ] [ 0.450576 0.189675 0.305428 ] [ 0.68139 0.010592 0.0741 ] [ 0.703505 0.894164 0.551075 ] [ 0.556942 0.987953 0.700245 ] [ 0.323246 0.692811 0.428253 ] [ 0.17896 0.605313 0.56231 ] [ 0.069975 0.108235 0.680237 ] [ 0.300622 0.213 0.942237 ] [ 0.094908 0.896998 0.701372 ] [ 0.676754 0.192811 0.071747 ] [ 0.443058 0.012047 0.299755 ] [ 0.179113 0.501915 0.060752 ] [ 0.450576 0.310325 0.805428 ] [ 0.051591 0.995876 0.184471 ] [ 0.179113 0.998085 0.560752 ] [ 0.435233 0.396393 0.318027 ] [ 0.443058 0.487953 0.799755 ] [ 0.435233 0.103607 0.818027 ] [ 0.160704 0.79957 0.547866 ] [ 0.519882 0.197477 0.679798 ] [ 0.549424 0.689675 0.194572 ] [ 0.222569 0.402978 0.566124 ] [ 0.296495 0.394164 0.948925 ] [ 0.68139 0.489408 0.5741 ] [ 0.905092 0.396998 0.798628 ] [ 0.306766 0.593801 0.925974 ] [ 0.17896 0.894687 0.06231 ] [ 0.920775 0.298497 0.311886 ] [ 0.069975 0.391765 0.180237 ] [ 0.519882 0.302523 0.179798 ] [ 0.693234 0.093801 0.574026 ] [ 0.82104 0.105313 0.93769 ] [ 0.31861 0.989408 0.9259 ] [ 0.777431 0.597022 0.433876 ] [ 0.079225 0.798497 0.188114 ] [ 0.699378 0.713 0.557763 ] [ 0.905092 0.103002 0.298628 ] [ 0.693234 0.406199 0.074026 ] [ 0.920775 0.201503 0.811886 ] [ 0.480118 0.697477 0.820202 ] [ 0.556942 0.512047 0.200245 ] [ 0.932599 0.790631 0.825507 ] [ 0.676754 0.307189 0.571747 ] [ 0.839296 0.29957 0.952134 ] ] } "species" { "source-value" [ "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "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" "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" 6.94847319653 "source-unit" "angstrom" } "b" { "source-value" 20.2986293 "source-unit" "angstrom" } "c" { "source-value" 13.4151594897 "source-unit" "angstrom" } "beta" { "source-value" 101.018891806 "source-unit" "degree" } }