{ "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" [ [ 0.380096 0.298011 0.920927 ] [ 0.273196 0.940252 0.07956 ] [ 0.059748 0.332945 0.07956 ] [ 0 0 0.997457 ] [ 0 0 0.511824 ] [ 0 0 0.653538 ] [ 0.917915 0.619904 0.920927 ] [ 0.701989 0.082085 0.920927 ] [ 0.667055 0.726804 0.07956 ] [ 0.046763 0.631344 0.25426 ] [ 0.939863 0.273585 0.412894 ] [ 0.726415 0.666278 0.412894 ] [ 0.666667 0.333333 0.33079 ] [ 0.666667 0.333333 0.845158 ] [ 0.666667 0.333333 0.986872 ] [ 0.584581 0.953237 0.25426 ] [ 0.368656 0.415419 0.25426 ] [ 0.333722 0.060137 0.412894 ] [ 0.713429 0.964677 0.587594 ] [ 0.60653 0.606918 0.746227 ] [ 0.393082 0.999611 0.746227 ] [ 0.333333 0.666667 0.664124 ] [ 0.333333 0.666667 0.178491 ] [ 0.333333 0.666667 0.320205 ] [ 0.251248 0.286571 0.587594 ] [ 0.035323 0.748752 0.587594 ] [ 0.000389 0.39347 0.746227 ] [ 0 0 0.154952 ] [ 0 0 0.341502 ] [ 0 0 0.844507 ] [ 0.666667 0.333333 0.488285 ] [ 0.666667 0.333333 0.674835 ] [ 0.666667 0.333333 0.17784 ] [ 0.333333 0.666667 0.821618 ] [ 0.333333 0.666667 0.008168 ] [ 0.333333 0.666667 0.511174 ] [ 0.997344 0.663802 0.086253 ] [ 0.669655 0.667284 0.912375 ] [ 0.332716 0.002371 0.912375 ] [ 0.666459 0.002656 0.086253 ] [ 0.336198 0.333541 0.086253 ] [ 0.997629 0.330345 0.912375 ] [ 0.66401 0.997136 0.419586 ] [ 0.336322 0.000618 0.245708 ] [ 0.999382 0.335704 0.245708 ] [ 0.333125 0.33599 0.419586 ] [ 0.002864 0.666875 0.419586 ] [ 0.664296 0.663678 0.245708 ] [ 0.330677 0.330469 0.752919 ] [ 0.002988 0.333951 0.579041 ] [ 0.666049 0.669037 0.579041 ] [ 0.999792 0.669323 0.752919 ] [ 0.669531 0.000208 0.752919 ] [ 0.330963 0.997012 0.579041 ] [ 0.023421 0.844634 0.077197 ] [ 0.176035 0.024454 0.919383 ] [ 0.438077 0.329484 0.025584 ] [ 0.737285 0.004797 0.826263 ] [ 0.178239 0.690988 0.084499 ] [ 0.993428 0.245903 0.177083 ] [ 0.092395 0.416879 0.979702 ] [ 0.683989 0.513027 0.909913 ] [ 0.848419 0.823965 0.919383 ] [ 0.754097 0.747525 0.177083 ] [ 0.324484 0.907605 0.979702 ] [ 0.486973 0.170962 0.909913 ] [ 0.512748 0.821761 0.084499 ] [ 0.670516 0.108593 0.025584 ] [ 0.267512 0.262715 0.826263 ] [ 0.309012 0.487252 0.084499 ] [ 0.155366 0.178787 0.077197 ] [ 0.995203 0.732488 0.826263 ] [ 0.891407 0.561923 0.025584 ] [ 0.829038 0.316011 0.909913 ] [ 0.252475 0.006572 0.177083 ] [ 0.583121 0.675516 0.979702 ] [ 0.821213 0.976579 0.077197 ] [ 0.975546 0.151581 0.919383 ] [ 0.690087 0.177967 0.410531 ] [ 0.842702 0.357787 0.252716 ] [ 0.104744 0.662818 0.358918 ] [ 0.403951 0.33813 0.159597 ] [ 0.844906 0.024321 0.417832 ] [ 0.660095 0.579236 0.510416 ] [ 0.759061 0.750212 0.313035 ] [ 0.350656 0.84636 0.243246 ] [ 0.515086 0.157298 0.252716 ] [ 0.420764 0.080858 0.510416 ] [ 0.991151 0.240939 0.313035 ] [ 0.15364 0.504295 0.243246 ] [ 0.179415 0.155094 0.417832 ] [ 0.337182 0.441926 0.358918 ] [ 0.934179 0.596049 0.159597 ] [ 0.975679 0.820585 0.417832 ] [ 0.822033 0.51212 0.410531 ] [ 0.66187 0.065821 0.159597 ] [ 0.558074 0.895256 0.358918 ] [ 0.495705 0.649344 0.243246 ] [ 0.919142 0.339905 0.510416 ] [ 0.249788 0.008849 0.313035 ] [ 0.48788 0.309913 0.410531 ] [ 0.642213 0.484914 0.252716 ] [ 0.356754 0.5113 0.743864 ] [ 0.509369 0.691121 0.586049 ] [ 0.77141 0.996151 0.692251 ] [ 0.070618 0.671464 0.49293 ] [ 0.511573 0.357655 0.751166 ] [ 0.326762 0.91257 0.84375 ] [ 0.425728 0.083545 0.646368 ] [ 0.017322 0.179694 0.57658 ] [ 0.181752 0.490631 0.586049 ] [ 0.08743 0.414192 0.84375 ] [ 0.657818 0.574272 0.646368 ] [ 0.820306 0.837629 0.57658 ] [ 0.846082 0.488427 0.751166 ] [ 0.003849 0.77526 0.692251 ] [ 0.600845 0.929382 0.49293 ] [ 0.642345 0.153918 0.751166 ] [ 0.4887 0.845453 0.743864 ] [ 0.328536 0.399155 0.49293 ] [ 0.22474 0.22859 0.692251 ] [ 0.162371 0.982678 0.57658 ] [ 0.585808 0.673238 0.84375 ] [ 0.916455 0.342182 0.646368 ] [ 0.154547 0.643246 0.743864 ] [ 0.308879 0.818248 0.586049 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "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" "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" 9.480638 "source-unit" "angstrom" } "alpha" { "source-value" 90 "source-unit" "degree" } }