{ "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" [ [ 0.473054 0.479736 0.983923 ] [ 0.026139 0.462322 0.44256 ] [ 0.463847 0.02657 0.443671 ] [ 0.717904 0.708029 0.274346 ] [ 0.238404 0.759254 0.258212 ] [ 0.757493 0.236797 0.262775 ] [ 0.673605 0.66447 0.747888 ] [ 0.113133 0.133595 0.998332 ] [ 0.89989 0.897049 0.175222 ] [ 0.838824 0.837481 0.847241 ] [ 0.190925 0.380701 0.001117 ] [ 0.995055 0.806903 0.393431 ] [ 0.808307 0.990581 0.393564 ] [ 0.005642 0.187441 0.382141 ] [ 0.187235 0.008662 0.381943 ] [ 0.993138 0.63202 0.175425 ] [ 0.999333 0.364826 0.181979 ] [ 0.634926 0.991657 0.17469 ] [ 0.36719 0.002599 0.181342 ] [ 0.622522 0.808615 0.994293 ] [ 0.810092 0.623921 0.994966 ] [ 0.182724 0.631902 0.993928 ] [ 0.633126 0.179553 0.993282 ] [ 0.379144 0.189252 0.998697 ] [ 0.001077 0.621038 0.813715 ] [ 0.001162 0.373282 0.816089 ] [ 0.622633 0.0004 0.813002 ] [ 0.374694 0.00443 0.815987 ] [ 0.001167 0.813999 0.63679 ] [ 0.999885 0.184806 0.632479 ] [ 0.814453 0.997115 0.635227 ] [ 0.184467 0.003357 0.632966 ] [ 0.364904 0.821873 0.995411 ] [ 0.818271 0.365453 0.996349 ] [ 0.485668 0.768379 0.004456 ] [ 0.278572 0.722099 0.978142 ] [ 0.709935 0.286281 0.980711 ] [ 0.243532 0.515134 0.00978 ] [ 0.31111 0.300957 0.982033 ] [ 0.648561 0.889696 0.878294 ] [ 0.890429 0.652046 0.878926 ] [ 0.358893 0.89638 0.886929 ] [ 0.891529 0.355915 0.887864 ] [ 0.112506 0.62947 0.882549 ] [ 0.636307 0.112009 0.881243 ] [ 0.112498 0.359711 0.883096 ] [ 0.363523 0.115146 0.887959 ] [ 0.498267 0.999799 0.761254 ] [ 0.992369 0.497701 0.761492 ] [ 0.005201 0.716669 0.72427 ] [ 0.282124 0.003292 0.724002 ] [ 0.99358 0.28174 0.722068 ] [ 0.717054 0.001338 0.723137 ] [ 0.887727 0.885587 0.669845 ] [ 0.106418 0.894145 0.651561 ] [ 0.892657 0.103559 0.648978 ] [ 0.107266 0.109355 0.661152 ] [ 0.753256 0.984779 0.522823 ] [ 0.991431 0.754046 0.5233 ] [ 0.240392 0.004619 0.518291 ] [ 0.002324 0.240357 0.517811 ] [ 0.863121 0.859758 0.368052 ] [ 0.099313 0.896889 0.370537 ] [ 0.896456 0.096316 0.373088 ] [ 0.130587 0.132536 0.35357 ] [ 0.29978 0.982307 0.300421 ] [ 0.002532 0.718263 0.285015 ] [ 0.97399 0.299204 0.302257 ] [ 0.721333 0.998446 0.283784 ] [ 0.987835 0.501265 0.220076 ] [ 0.503443 0.99536 0.218945 ] [ 0.681598 0.871643 0.106629 ] [ 0.329691 0.890269 0.098872 ] [ 0.87334 0.682619 0.107463 ] [ 0.10502 0.667271 0.091827 ] [ 0.884008 0.32605 0.099874 ] [ 0.11459 0.333256 0.105729 ] [ 0.670389 0.104628 0.091433 ] [ 0.338496 0.118268 0.098476 ] [ 0.691416 0.69124 0.956222 ] [ 0.769254 0.487896 0.005044 ] [ 0.508613 0.228917 0.007707 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Ba" "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" 12.24164517 "source-unit" "angstrom" } "b" { "source-value" 12.27086139 "source-unit" "angstrom" } "c" { "source-value" 12.6119617 "source-unit" "angstrom" } "alpha" { "source-value" 90.28059582 "source-unit" "degree" } "beta" { "source-value" 90.38534178 "source-unit" "degree" } "gamma" { "source-value" 90.05717906 "source-unit" "degree" } }