{ "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" [ [ 0.845802 0.827671 0.652789 ] [ 0.660017 0.676171 0.905491 ] [ 0.346261 0.32232 0.667644 ] [ 0.31649 0.330954 0.157438 ] [ 0.170536 0.165156 0.398611 ] [ 0.846761 0.165054 0.630461 ] [ 0.827709 0.504081 0.135484 ] [ 0.671297 0.015674 0.883383 ] [ 0.659863 0.348542 0.388372 ] [ 0.347731 0.656047 0.625714 ] [ 0.314667 0.995422 0.127478 ] [ 0.168708 0.828174 0.375157 ] [ 0.171372 0.494689 0.877816 ] [ 0.838173 0.497924 0.632778 ] [ 0.829355 0.175529 0.128334 ] [ 0.67382 0.002564 0.379426 ] [ 0.670019 0.335797 0.879606 ] [ 0.339415 0.99806 0.623694 ] [ 0.335102 0.661248 0.131213 ] [ 0.1585 0.502782 0.372008 ] [ 0.172559 0.834896 0.875487 ] [ 0.90436 0.509168 0.327944 ] [ 0.906718 0.848616 0.861952 ] [ 0.808312 0.209508 0.84394 ] [ 0.784598 0.136906 0.415935 ] [ 0.818922 0.877867 0.378131 ] [ 0.798572 0.461594 0.928957 ] [ 0.722322 0.632419 0.642206 ] [ 0.688989 0.0571 0.07814 ] [ 0.694764 0.372607 0.596131 ] [ 0.690228 0.304365 0.161775 ] [ 0.594528 0.660183 0.108413 ] [ 0.589898 0.990398 0.675977 ] [ 0.408512 0.996611 0.34897 ] [ 0.411937 0.334965 0.860384 ] [ 0.293549 0.704315 0.843616 ] [ 0.276603 0.630054 0.418275 ] [ 0.284351 0.370155 0.367411 ] [ 0.31944 0.952687 0.920393 ] [ 0.195369 0.532433 0.09959 ] [ 0.223557 0.132311 0.607178 ] [ 0.20962 0.868846 0.585408 ] [ 0.210225 0.784678 0.178248 ] [ 0.088466 0.170275 0.147041 ] [ 0.097952 0.482826 0.661562 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "B" "B" "B" "B" "B" "B" "B" "B" "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" 5.22006851 "source-unit" "angstrom" } "b" { "source-value" 9.12267489 "source-unit" "angstrom" } "c" { "source-value" 10.12646844 "source-unit" "angstrom" } "alpha" { "source-value" 91.05954232 "source-unit" "degree" } "beta" { "source-value" 90.54027209 "source-unit" "degree" } "gamma" { "source-value" 90.13297839 "source-unit" "degree" } }