{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P1" } "basis-atom-coordinates" { "source-value" [ [ 0.533508 0.50543 0.980024 ] [ 0.254205 0.737877 0.737835 ] [ 0.743903 0.741285 0.755648 ] [ 0.493783 0.012728 0.43298 ] [ 0.001862 0.498617 0.445836 ] [ 0.266826 0.267007 0.278816 ] [ 0.749131 0.243336 0.263861 ] [ 0.237041 0.759792 0.264821 ] [ 0.737378 0.699965 0.322232 ] [ 0.076202 0.115027 0.04402 ] [ 0.862628 0.853963 0.168693 ] [ 0.625308 0.81068 0.004176 ] [ 0.994008 0.805381 0.623923 ] [ 0.191561 0.009431 0.393133 ] [ 0.005314 0.193874 0.39338 ] [ 0.80343 0.001471 0.383276 ] [ 0.991364 0.811122 0.383845 ] [ 0.352348 0.996829 0.172954 ] [ 0.631812 0.990551 0.177553 ] [ 0.000326 0.363028 0.18223 ] [ 0.993487 0.634965 0.173013 ] [ 0.808247 0.620958 0.000988 ] [ 0.368347 0.001511 0.818995 ] [ 0.618799 0.998901 0.817228 ] [ 0.999558 0.362475 0.820727 ] [ 0.998333 0.609715 0.811954 ] [ 0.185527 0.996376 0.628121 ] [ 0.994309 0.181395 0.633147 ] [ 0.806109 0.999451 0.631005 ] [ 0.369928 0.184214 0.002536 ] [ 0.627601 0.176734 0.999726 ] [ 0.188614 0.372186 0.001359 ] [ 0.818956 0.357707 0.003712 ] [ 0.182971 0.623619 0.992064 ] [ 0.357739 0.820618 0.998643 ] [ 0.301684 0.299344 0.985504 ] [ 0.23447 0.498844 0.008783 ] [ 0.70231 0.288274 0.990071 ] [ 0.290903 0.703177 0.972781 ] [ 0.776359 0.481064 0.023258 ] [ 0.482064 0.784146 0.024416 ] [ 0.681598 0.682615 0.968361 ] [ 0.354427 0.107992 0.896892 ] [ 0.109986 0.353712 0.897274 ] [ 0.631934 0.111384 0.887165 ] [ 0.116746 0.621737 0.878783 ] [ 0.889009 0.34718 0.892335 ] [ 0.350791 0.887213 0.884812 ] [ 0.89255 0.628115 0.886005 ] [ 0.637005 0.891571 0.887365 ] [ 0.491552 0.99931 0.765263 ] [ 0.998371 0.482405 0.763028 ] [ 0.273303 0.003519 0.729564 ] [ 0.007138 0.265803 0.735243 ] [ 0.703644 0.99925 0.718166 ] [ 0.003832 0.69631 0.717319 ] [ 0.102958 0.101551 0.639511 ] [ 0.88211 0.109135 0.654167 ] [ 0.11773 0.882237 0.643462 ] [ 0.877708 0.888971 0.653322 ] [ 0.259469 0.998245 0.52129 ] [ 0.989041 0.250984 0.525556 ] [ 0.748559 0.001902 0.515419 ] [ 0.980452 0.738305 0.503562 ] [ 0.137738 0.140059 0.384647 ] [ 0.893365 0.110354 0.362192 ] [ 0.102859 0.90004 0.376044 ] [ 0.861756 0.872791 0.350608 ] [ 0.29794 0.000242 0.298912 ] [ 0.685419 0.020687 0.303154 ] [ 0.005521 0.305149 0.305928 ] [ 0.013944 0.707835 0.288716 ] [ 0.490722 0.97703 0.187235 ] [ 0.984163 0.499261 0.203989 ] [ 0.318582 0.123105 0.104541 ] [ 0.666364 0.108774 0.100034 ] [ 0.125853 0.331248 0.107032 ] [ 0.893491 0.305482 0.09822 ] [ 0.112201 0.662521 0.091285 ] [ 0.871408 0.680226 0.111361 ] [ 0.293178 0.891268 0.088536 ] [ 0.687676 0.873526 0.114435 ] [ 0.49895 0.223988 0.015896 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Na" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "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" 12.06775249 "source-unit" "angstrom" } "b" { "source-value" 12.24154934 "source-unit" "angstrom" } "c" { "source-value" 12.6542743 "source-unit" "angstrom" } "alpha" { "source-value" 90.56706111 "source-unit" "degree" } "beta" { "source-value" 90.15788794 "source-unit" "degree" } "gamma" { "source-value" 90.16477281 "source-unit" "degree" } }