{ "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" [ [ 0.99831 0.724331 0.812406 ] [ 0.50169 0.224331 0.687594 ] [ 0.00169 0.275669 0.187594 ] [ 0.49831 0.775669 0.312406 ] [ 0.64557 0.588795 0.757378 ] [ 0.85443 0.088795 0.742622 ] [ 0.459051 0.825815 0.639869 ] [ 0.678428 0.394212 0.980039 ] [ 0.540949 0.174185 0.360131 ] [ 0.14557 0.911205 0.257378 ] [ 0.321572 0.605788 0.019961 ] [ 0.749913 0.027574 0.271772 ] [ 0.178428 0.105788 0.480039 ] [ 0.821572 0.894212 0.519961 ] [ 0.750087 0.527574 0.228228 ] [ 0.959051 0.674185 0.139869 ] [ 0.249913 0.472426 0.771772 ] [ 0.250087 0.972426 0.728228 ] [ 0.35443 0.411205 0.242622 ] [ 0.040949 0.325815 0.860131 ] [ 0.364176 0.069249 0.136555 ] [ 0.771647 0.534422 0.516576 ] [ 0.646808 0.893102 0.020207 ] [ 0.353192 0.106898 0.979793 ] [ 0.135824 0.569249 0.363445 ] [ 0.228353 0.465578 0.483424 ] [ 0.721158 0.36412 0.536248 ] [ 0.278842 0.63588 0.463752 ] [ 0.635824 0.930751 0.863445 ] [ 0.146808 0.606898 0.520207 ] [ 0.728353 0.034422 0.983424 ] [ 0.778842 0.86412 0.963752 ] [ 0.864176 0.430751 0.636555 ] [ 0.271647 0.965578 0.016576 ] [ 0.221158 0.13588 0.036248 ] [ 0.853192 0.393102 0.479793 ] [ 0.304281 0.070451 0.043227 ] [ 0.804281 0.429549 0.543227 ] [ 0.695719 0.929549 0.956773 ] [ 0.195719 0.570451 0.456773 ] [ 0.171693 0.903096 0.806743 ] [ 0.815808 0.657909 0.165411 ] [ 0.319233 0.159704 0.519746 ] [ 0.238252 0.326668 0.258367 ] [ 0.144082 0.582407 0.708622 ] [ 0.567851 0.23561 0.491825 ] [ 0.315808 0.842091 0.665411 ] [ 0.828307 0.096904 0.193257 ] [ 0.977944 0.200906 0.755827 ] [ 0.932149 0.73561 0.008175 ] [ 0.829092 0.047921 0.595282 ] [ 0.571053 0.291272 0.908882 ] [ 0.328307 0.403096 0.693257 ] [ 0.738252 0.173332 0.758367 ] [ 0.680767 0.840296 0.480254 ] [ 0.180767 0.659704 0.980254 ] [ 0.670908 0.547921 0.904718 ] [ 0.184192 0.342091 0.834589 ] [ 0.261748 0.826668 0.241633 ] [ 0.459943 0.036958 0.320095 ] [ 0.477944 0.299094 0.255827 ] [ 0.761748 0.673332 0.741633 ] [ 0.855918 0.417593 0.291378 ] [ 0.022056 0.799094 0.244173 ] [ 0.170908 0.952079 0.404718 ] [ 0.684192 0.157909 0.334589 ] [ 0.90125 0.956216 0.824195 ] [ 0.819233 0.340296 0.019746 ] [ 0.856309 0.955627 0.395324 ] [ 0.329092 0.452079 0.095282 ] [ 0.40125 0.543784 0.324195 ] [ 0.040057 0.536958 0.179905 ] [ 0.428947 0.708728 0.091118 ] [ 0.643691 0.455627 0.104676 ] [ 0.644082 0.917593 0.208622 ] [ 0.522056 0.700906 0.744173 ] [ 0.071053 0.208728 0.408882 ] [ 0.355918 0.082407 0.791378 ] [ 0.959943 0.463042 0.820095 ] [ 0.59875 0.456216 0.675805 ] [ 0.09875 0.043784 0.175805 ] [ 0.928947 0.791272 0.591118 ] [ 0.671693 0.596904 0.306743 ] [ 0.143691 0.044373 0.604676 ] [ 0.067851 0.26439 0.991825 ] [ 0.540057 0.963042 0.679905 ] [ 0.356309 0.544373 0.895324 ] [ 0.432149 0.76439 0.508175 ] ] } "species" { "source-value" [ "Gd" "Gd" "Gd" "Gd" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "N" "N" "N" "N" "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" 10.5155991025 "source-unit" "angstrom" } "b" { "source-value" 9.11267792 "source-unit" "angstrom" } "c" { "source-value" 11.0023400952 "source-unit" "angstrom" } "beta" { "source-value" 106.875560469 "source-unit" "degree" } }