{ "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" [ [ 0.423409 0.15319 0.425029 ] [ 0.576591 0.84681 0.574971 ] [ 0.898971 0.201873 0.899306 ] [ 0.731046 0.53602 0.731644 ] [ 0.268954 0.46398 0.268356 ] [ 0.101029 0.798128 0.100694 ] [ 0.833136 0.990457 0.645063 ] [ 0.81694 0.052574 0.314263 ] [ 0.737321 0.865313 0.926525 ] [ 0.609247 0.090073 0.118083 ] [ 0.895301 0.52045 0.402816 ] [ 0.75148 0.80577 0.260782 ] [ 0.880349 0.579337 0.069141 ] [ 0.390753 0.909927 0.881917 ] [ 0.404677 0.848987 0.217239 ] [ 0.69005 0.276892 0.50303 ] [ 0.546986 0.562992 0.360529 ] [ 0.262679 0.134687 0.073475 ] [ 0.531535 0.624001 0.025893 ] [ 0.673625 0.338478 0.170582 ] [ 0.18306 0.947426 0.685737 ] [ 0.326375 0.661522 0.829418 ] [ 0.30995 0.723108 0.49697 ] [ 0.595323 0.151013 0.782761 ] [ 0.166864 0.009543 0.354937 ] [ 0.453014 0.437008 0.639471 ] [ 0.468465 0.375999 0.974107 ] [ 0.976328 0.705439 0.786885 ] [ 0.104699 0.47955 0.597184 ] [ 0.960433 0.765759 0.455825 ] [ 0.24852 0.19423 0.739218 ] [ 0.119651 0.420663 0.930859 ] [ 0.039567 0.234241 0.544175 ] [ 0.023672 0.294562 0.213115 ] [ 0.7887 0.040746 0.815823 ] [ 0.918132 0.878925 0.274309 ] [ 0.833316 0.928844 0.491227 ] [ 0.779296 0.811937 0.752828 ] [ 0.636309 0.09772 0.60936 ] [ 0.92399 0.527464 0.896494 ] [ 0.737047 0.927291 0.082028 ] [ 0.880994 0.64393 0.223509 ] [ 0.645717 0.980793 0.305446 ] [ 0.789288 0.694097 0.448131 ] [ 0.555933 0.974884 0.880684 ] [ 0.69835 0.687919 0.022248 ] [ 0.841376 0.402344 0.165985 ] [ 0.872355 0.16843 0.549219 ] [ 0.585984 0.739695 0.264657 ] [ 0.444067 0.025116 0.119316 ] [ 0.72881 0.454373 0.407698 ] [ 0.354283 0.019207 0.694554 ] [ 0.496764 0.733531 0.838986 ] [ 0.262953 0.072709 0.917972 ] [ 0.506795 0.61571 0.533314 ] [ 0.363691 0.90228 0.39064 ] [ 0.648514 0.328558 0.675018 ] [ 0.637483 0.44803 0.985037 ] [ 0.775305 0.162654 0.133319 ] [ 0.40253 0.787394 0.061528 ] [ 0.546126 0.502263 0.204842 ] [ 0.689249 0.215814 0.348631 ] [ 0.310751 0.784186 0.651369 ] [ 0.453874 0.497737 0.795158 ] [ 0.166684 0.071156 0.508773 ] [ 0.224695 0.837346 0.866681 ] [ 0.081868 0.121075 0.725691 ] [ 0.351486 0.671442 0.324982 ] [ 0.2113 0.959254 0.184177 ] [ 0.493205 0.38429 0.466686 ] [ 0.59747 0.212606 0.938472 ] [ 0.503236 0.266469 0.161014 ] [ 0.362517 0.55197 0.014963 ] [ 0.984764 0.117074 0.308102 ] [ 0.27119 0.545627 0.592302 ] [ 0.127645 0.83157 0.450781 ] [ 0.414016 0.260305 0.735343 ] [ 0.158624 0.597656 0.834015 ] [ 0.015236 0.882926 0.691898 ] [ 0.30165 0.312081 0.977752 ] [ 0.065261 0.592279 0.411845 ] [ 0.210712 0.305903 0.551869 ] [ 0.976913 0.641754 0.633449 ] [ 0.119006 0.35607 0.776491 ] [ 0.930309 0.755822 0.957537 ] [ 0.220704 0.188063 0.247172 ] [ 0.07601 0.472536 0.103506 ] [ 0.023087 0.358246 0.366551 ] [ 0.934739 0.407721 0.588155 ] [ 0.069691 0.244178 0.042463 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "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" "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" 10.09985018 "source-unit" "angstrom" } "b" { "source-value" 10.77538739 "source-unit" "angstrom" } "c" { "source-value" 10.99471694 "source-unit" "angstrom" } "alpha" { "source-value" 73.51075962 "source-unit" "degree" } "beta" { "source-value" 81.70654553 "source-unit" "degree" } "gamma" { "source-value" 77.21413532 "source-unit" "degree" } }