{ "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" [ [ 0.730182 0.440159 0.673299 ] [ 0.269818 0.940159 0.826701 ] [ 0.269818 0.559841 0.326701 ] [ 0.094232 0.171722 0.00164 ] [ 0.905768 0.828278 0.99836 ] [ 0.730182 0.059841 0.173299 ] [ 0.094232 0.328278 0.50164 ] [ 0.905768 0.671722 0.49836 ] [ 0.688068 0.029722 0.50087 ] [ 0.553093 0.638154 0.01949 ] [ 0.553093 0.861846 0.51949 ] [ 0.446907 0.361846 0.98051 ] [ 0.688068 0.470278 0.00087 ] [ 0.619004 0.484132 0.180108 ] [ 0.380996 0.515868 0.819892 ] [ 0.311932 0.970278 0.49913 ] [ 0.311932 0.529722 0.99913 ] [ 0.619004 0.015868 0.680108 ] [ 0.380996 0.984132 0.319892 ] [ 0.446907 0.138154 0.48051 ] [ 0.747628 0.041468 0.878549 ] [ 0.60713 0.792121 0.039469 ] [ 0.252372 0.958532 0.121451 ] [ 0.747628 0.458532 0.378549 ] [ 0.39287 0.207879 0.960531 ] [ 0.39287 0.292121 0.460531 ] [ 0.252372 0.541468 0.621451 ] [ 0.60713 0.707879 0.539469 ] [ 0.513034 0.146492 0.308752 ] [ 0.255723 0.675724 0.846208 ] [ 0.513034 0.353508 0.808752 ] [ 0.154867 0.408951 0.807928 ] [ 0.619162 0.617111 0.847666 ] [ 0.845133 0.908951 0.692072 ] [ 0.380838 0.117111 0.652334 ] [ 0.744277 0.324276 0.153792 ] [ 0.845133 0.591049 0.192072 ] [ 0.050554 0.579455 0.989093 ] [ 0.619162 0.882889 0.347666 ] [ 0.949446 0.079455 0.510907 ] [ 0.154867 0.091049 0.307928 ] [ 0.486966 0.646492 0.191248 ] [ 0.744277 0.175724 0.653792 ] [ 0.050554 0.920545 0.489093 ] [ 0.486966 0.853508 0.691248 ] [ 0.255723 0.824276 0.346208 ] [ 0.949446 0.420545 0.010907 ] [ 0.380838 0.382889 0.152334 ] [ 0.638736 0.87894 0.051614 ] [ 0.17675 0.558931 0.510245 ] [ 0.17675 0.941069 0.010245 ] [ 0.361264 0.37894 0.448386 ] [ 0.82325 0.058931 0.989755 ] [ 0.361264 0.12106 0.948386 ] [ 0.82325 0.441069 0.489755 ] [ 0.638736 0.62106 0.551614 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "Re" "Re" "Re" "Re" "Re" "Re" "Re" "Re" "Re" "Re" "Re" "Re" "C" "C" "C" "C" "C" "C" "C" "C" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "N" "N" "N" "N" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.80659284 "source-unit" "angstrom" } "b" { "source-value" 13.25956662 "source-unit" "angstrom" } "c" { "source-value" 12.40028436 "source-unit" "angstrom" } "beta" { "source-value" 123.07251183 "source-unit" "degree" } }