{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0.543806 0.836834 0.616504 ] [ 0.456194 0.163166 0.383496 ] [ 0.788478 0.856389 0.739081 ] [ 0.211522 0.143611 0.260919 ] [ 0.530512 0.957204 0.767825 ] [ 0.469488 0.042796 0.232175 ] [ 0.574984 0.792378 0.840151 ] [ 0.425016 0.207622 0.159849 ] [ 0.822405 0.626932 0.119591 ] [ 0.177595 0.373068 0.880409 ] [ 0.049623 0.616863 0.241132 ] [ 0.950377 0.383137 0.758868 ] [ 0.802778 0.724544 0.278732 ] [ 0.197222 0.275456 0.721268 ] [ 0.818118 0.540946 0.329199 ] [ 0.181882 0.459054 0.670801 ] [ 0.565377 0.728223 0.543182 ] [ 0.434623 0.271777 0.456818 ] [ 0.623538 0.936074 0.550691 ] [ 0.376462 0.063926 0.449309 ] [ 0.347818 0.812694 0.567364 ] [ 0.652182 0.187306 0.432636 ] [ 0.797911 0.721279 0.700719 ] [ 0.202089 0.278721 0.299281 ] [ 0.911573 0.917316 0.666515 ] [ 0.088427 0.082684 0.333485 ] [ 0.935068 0.879473 0.833836 ] [ 0.064932 0.120527 0.166164 ] [ 0.320611 0.904774 0.75542 ] [ 0.679389 0.095226 0.24458 ] [ 0.523091 0.060768 0.705381 ] [ 0.476909 0.939232 0.294619 ] [ 0.551301 0.03194 0.87651 ] [ 0.448699 0.96806 0.12349 ] [ 0.607886 0.667828 0.849805 ] [ 0.392114 0.332172 0.150195 ] [ 0.677799 0.859373 0.949833 ] [ 0.322201 0.140627 0.050167 ] [ 0.391736 0.752696 0.874637 ] [ 0.608264 0.247304 0.125363 ] [ 0.928045 0.731738 0.064683 ] [ 0.071955 0.268262 0.935317 ] [ 0.827833 0.520265 0.03754 ] [ 0.172167 0.479735 0.96246 ] [ 0.637935 0.626921 0.07036 ] [ 0.362065 0.373079 0.92964 ] [ 0.179131 0.614841 0.336461 ] [ 0.820869 0.385159 0.663539 ] [ 0.189076 0.688783 0.181144 ] [ 0.810924 0.311217 0.818856 ] [ 0.044771 0.483907 0.184993 ] [ 0.955229 0.516093 0.815007 ] [ 0.81989 0.788445 0.390432 ] [ 0.18011 0.211555 0.609568 ] [ 0.806884 0.838997 0.227448 ] [ 0.193116 0.161003 0.772552 ] [ 0.592058 0.672256 0.260662 ] [ 0.407942 0.327744 0.739338 ] [ 0.898754 0.58274 0.445583 ] [ 0.101246 0.41726 0.554417 ] [ 0.841161 0.411024 0.321735 ] [ 0.158839 0.588976 0.678265 ] [ 0.625571 0.494652 0.349051 ] [ 0.374429 0.505348 0.650949 ] [ 0.751364 0.990139 0.778102 ] [ 0.248636 0.009861 0.221898 ] [ 0.551125 0.806917 0.726083 ] [ 0.448875 0.193083 0.273917 ] [ 0.023016 0.749621 0.295667 ] [ 0.976984 0.250379 0.704333 ] [ 0.813178 0.577373 0.221505 ] [ 0.186822 0.422627 0.778495 ] [ 0.843022 0.072863 0.803031 ] [ 0.156978 0.927137 0.196969 ] [ 0.577248 0.660811 0.499107 ] [ 0.422752 0.339189 0.500893 ] [ 0.675667 0.998283 0.514507 ] [ 0.324333 0.001717 0.485493 ] [ 0.228272 0.795154 0.537043 ] [ 0.771728 0.204846 0.462957 ] [ 0.80875 0.642672 0.678835 ] [ 0.19125 0.357328 0.321165 ] [ 0.990733 0.957346 0.626373 ] [ 0.009267 0.042654 0.373627 ] [ 0.026072 0.896181 0.889878 ] [ 0.973928 0.103819 0.110122 ] [ 0.196094 0.875306 0.748289 ] [ 0.803906 0.124694 0.251711 ] [ 0.518955 0.126432 0.670935 ] [ 0.481045 0.873568 0.329065 ] [ 0.565929 0.080908 0.940877 ] [ 0.434071 0.919092 0.059123 ] [ 0.625668 0.590763 0.855137 ] [ 0.374332 0.409237 0.144863 ] [ 0.741886 0.904861 0.013841 ] [ 0.258114 0.095139 0.986159 ] [ 0.280397 0.725707 0.895316 ] [ 0.719603 0.274293 0.104684 ] [ 0.118187 0.826188 0.332429 ] [ 0.881813 0.173812 0.667571 ] [ 0.997665 0.792876 0.033308 ] [ 0.002335 0.207124 0.966692 ] [ 0.826767 0.453017 0.988312 ] [ 0.173233 0.546983 0.011688 ] [ 0.52494 0.626619 0.040188 ] [ 0.47506 0.373381 0.959812 ] [ 0.259815 0.616484 0.393981 ] [ 0.740185 0.383516 0.606019 ] [ 0.277309 0.734621 0.148593 ] [ 0.722691 0.265379 0.851407 ] [ 0.044575 0.406098 0.151495 ] [ 0.955425 0.593902 0.848505 ] [ 0.836587 0.831126 0.457388 ] [ 0.163413 0.168874 0.542612 ] [ 0.803599 0.908701 0.198416 ] [ 0.196401 0.091299 0.801584 ] [ 0.467231 0.639208 0.250375 ] [ 0.532769 0.360792 0.749625 ] [ 0.94819 0.611033 0.51481 ] [ 0.05181 0.388967 0.48519 ] [ 0.851889 0.330536 0.314126 ] [ 0.148111 0.669464 0.685874 ] [ 0.507733 0.463887 0.360394 ] [ 0.492267 0.536113 0.639606 ] ] } "species" { "source-value" [ "Ru" "Ru" "Ru" "Ru" "Ru" "Ru" "Ru" "Ru" "Ru" "Ru" "Ru" "Ru" "Ru" "Ru" "Ru" "Ru" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "N" "N" "N" "N" "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" "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" 9.86232662 "source-unit" "angstrom" } "b" { "source-value" 14.06884099 "source-unit" "angstrom" } "c" { "source-value" 16.67509418 "source-unit" "angstrom" } "alpha" { "source-value" 97.98913424 "source-unit" "degree" } "beta" { "source-value" 97.21436869 "source-unit" "degree" } "gamma" { "source-value" 107.75214514 "source-unit" "degree" } }