{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.185479 0.152927 0.407015 ] [ 0.018287 0.989344 0.67873 ] [ 0.55381 0.653609 0.180899 ] [ 0.887937 0.173094 0.819945 ] [ 0.01509 0.348028 0.09144 ] [ 0.250787 0.507329 0.808017 ] [ 0.981713 0.489344 0.32127 ] [ 0.749213 0.007329 0.191983 ] [ 0.564891 0.346234 0.088314 ] [ 0.814521 0.652927 0.592985 ] [ 0.73469 0.151981 0.413012 ] [ 0.199936 0.862295 0.319418 ] [ 0.112063 0.673094 0.180055 ] [ 0.182724 0.24091 0.695757 ] [ 0.26531 0.651981 0.586988 ] [ 0.98491 0.848028 0.90856 ] [ 0.435109 0.846234 0.911686 ] [ 0.800064 0.362295 0.680582 ] [ 0.817276 0.74091 0.304243 ] [ 0.44619 0.153609 0.819101 ] [ 0.245939 0.054909 0.168153 ] [ 0.47736 0.415269 0.334796 ] [ 0.006606 0.268147 0.542708 ] [ 0.754061 0.554909 0.831847 ] [ 0.481453 0.796019 0.449244 ] [ 0.52264 0.915269 0.665204 ] [ 0.242101 0.236654 0.957083 ] [ 0.254624 0.721338 0.045326 ] [ 0.757899 0.736654 0.042917 ] [ 0.518547 0.296019 0.550756 ] [ 0.993394 0.768147 0.457292 ] [ 0.745376 0.221338 0.954674 ] [ 0.288356 0.14173 0.629208 ] [ 0.779473 0.194062 0.065596 ] [ 0.265765 0.022265 0.864454 ] [ 0.582537 0.475752 0.642288 ] [ 0.848838 0.901464 0.738361 ] [ 0.034119 0.80048 0.564342 ] [ 0.312041 0.540826 0.143932 ] [ 0.734235 0.522265 0.135546 ] [ 0.151162 0.401464 0.261639 ] [ 0.687959 0.040826 0.856068 ] [ 0.239013 0.010576 0.477889 ] [ 0.972792 0.347886 0.881586 ] [ 0.250076 0.484957 0.519549 ] [ 0.075483 0.175292 0.246654 ] [ 0.965881 0.30048 0.435658 ] [ 0.924517 0.675292 0.753346 ] [ 0.202879 0.622266 0.365294 ] [ 0.789284 0.693582 0.931442 ] [ 0.417463 0.975752 0.357712 ] [ 0.495866 0.992884 0.981746 ] [ 0.220527 0.694062 0.934404 ] [ 0.424652 0.63084 0.760855 ] [ 0.027208 0.847886 0.118414 ] [ 0.997805 0.477819 0.638373 ] [ 0.995998 0.50786 0.022895 ] [ 0.660711 0.358941 0.251939 ] [ 0.749924 0.984957 0.480451 ] [ 0.339289 0.858941 0.748061 ] [ 0.002195 0.977819 0.361627 ] [ 0.456987 0.811911 0.563746 ] [ 0.575348 0.13084 0.239145 ] [ 0.004002 0.00786 0.977105 ] [ 0.711644 0.64173 0.370792 ] [ 0.760987 0.510576 0.522111 ] [ 0.504134 0.492884 0.018254 ] [ 0.797121 0.122266 0.634706 ] [ 0.44056 0.390523 0.864134 ] [ 0.210716 0.193582 0.068558 ] [ 0.55944 0.890523 0.135866 ] [ 0.543013 0.311911 0.436254 ] ] } "species" { "source-value" [ "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.41436899 "source-unit" "angstrom" } "b" { "source-value" 8.45186048 "source-unit" "angstrom" } "c" { "source-value" 27.08260806 "source-unit" "angstrom" } "beta" { "source-value" 95.51592972 "source-unit" "degree" } }