{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-rhombohedral-crystal-npt" "instance-id" 1 "space-group" { "source-value" "R3" } "basis-atom-coordinates" { "source-value" [ [ 0.045861 0.722038 0.447569 ] [ 0.712527 0.055371 0.780903 ] [ 0.379194 0.388705 0.114236 ] [ 0.683481 0.620637 0.55212 ] [ 0.350148 0.95397 0.885454 ] [ 0.016814 0.287304 0.218787 ] [ 0.379363 0.062844 0.55212 ] [ 0.04603 0.396177 0.885454 ] [ 0.712696 0.729511 0.218787 ] [ 0 0 0.654626 ] [ 0.666667 0.333333 0.987959 ] [ 0.333333 0.666667 0.321292 ] [ 0.676177 0.954139 0.447569 ] [ 0.342844 0.287473 0.780903 ] [ 0.00951 0.620806 0.114236 ] [ 0.277962 0.323823 0.447569 ] [ 0.944629 0.657156 0.780903 ] [ 0.611295 0.99049 0.114236 ] [ 0.937156 0.316519 0.55212 ] [ 0.603823 0.649852 0.885454 ] [ 0.270489 0.983186 0.218787 ] [ 0 0 0.000212 ] [ 0.666667 0.333333 0.333546 ] [ 0.333333 0.666667 0.666879 ] [ 0.054545 0.700549 0.584793 ] [ 0.721211 0.033883 0.918126 ] [ 0.387878 0.367216 0.251459 ] [ 0.657386 0.618894 0.414211 ] [ 0.324053 0.952228 0.747545 ] [ 0.99072 0.285561 0.080878 ] [ 0.381106 0.038492 0.414211 ] [ 0.047772 0.371826 0.747545 ] [ 0.714439 0.705159 0.080878 ] [ 0.646005 0.945455 0.584793 ] [ 0.312671 0.278789 0.918126 ] [ 0.979338 0.612122 0.251459 ] [ 0.299451 0.353995 0.584793 ] [ 0.966117 0.687329 0.918126 ] [ 0.632784 0.020662 0.251459 ] [ 0.961508 0.342614 0.414211 ] [ 0.628174 0.675947 0.747545 ] [ 0.294841 0.00928 0.080878 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Nb" "Nb" "Nb" "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" 5.60797150521 "source-unit" "angstrom" } "alpha" { "source-value" 90 "source-unit" "degree" } }