{ "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" [ [ 0.992694 0.168138 0.249739 ] [ 0.875718 0.375662 0.375242 ] [ 0.749782 0.250087 0.000266 ] [ 0.745705 0.920563 0.000662 ] [ 0.992507 0.168209 0.749655 ] [ 0.755865 0.580502 0.499077 ] [ 0.87434 0.374515 0.874769 ] [ 0.746466 0.249353 0.499599 ] [ 0.742712 0.919914 0.500727 ] [ 0.624805 0.125067 0.125054 ] [ 0.756588 0.579824 0.000428 ] [ 0.507758 0.332698 0.250574 ] [ 0.624417 0.125661 0.62504 ] [ 0.501712 0.999063 0.250442 ] [ 0.493646 0.668207 0.249908 ] [ 0.511054 0.331622 0.750789 ] [ 0.379276 0.875735 0.374669 ] [ 0.499226 0.001009 0.749658 ] [ 0.250057 0.750567 0.000208 ] [ 0.491726 0.667201 0.749852 ] [ 0.24473 0.419955 0.000332 ] [ 0.371948 0.875579 0.875282 ] [ 0.256289 0.081306 0.499806 ] [ 0.252092 0.748105 0.499738 ] [ 0.124924 0.6251 0.125055 ] [ 0.245457 0.419738 0.499326 ] [ 0.005232 0.832742 0.24996 ] [ 0.254369 0.079519 0.999626 ] [ 0.124579 0.627134 0.624804 ] [ 0.998523 0.49893 0.249595 ] [ 0.00926 0.831353 0.749948 ] [ 0.997216 0.499973 0.750416 ] [ 0.873783 0.041579 0.374365 ] [ 0.877429 0.042781 0.875882 ] [ 0.625783 0.791511 0.125171 ] [ 0.624467 0.458543 0.125207 ] [ 0.625972 0.791283 0.624871 ] [ 0.624166 0.459075 0.624707 ] [ 0.377065 0.541289 0.37537 ] [ 0.373328 0.208577 0.37492 ] [ 0.372886 0.539909 0.874253 ] [ 0.375015 0.208399 0.875039 ] [ 0.124765 0.958568 0.125088 ] [ 0.12587 0.291506 0.125142 ] [ 0.125254 0.957606 0.624996 ] [ 0.881647 0.710295 0.374843 ] [ 0.867557 0.709284 0.875352 ] [ 0.125768 0.29545 0.624849 ] [ 0.963661 0.106777 0.069039 ] [ 0.927872 0.784993 0.068933 ] [ 0.927411 0.427555 0.068001 ] [ 0.967708 0.106029 0.569193 ] [ 0.822456 0.964965 0.180748 ] [ 0.822706 0.322437 0.181811 ] [ 0.927779 0.78481 0.569184 ] [ 0.927517 0.425418 0.56844 ] [ 0.786247 0.643364 0.180921 ] [ 0.710946 0.861156 0.317851 ] [ 0.822382 0.964845 0.680939 ] [ 0.817383 0.323833 0.682596 ] [ 0.675126 0.535329 0.318919 ] [ 0.6766 0.178798 0.318081 ] [ 0.787046 0.643261 0.680946 ] [ 0.720658 0.855859 0.819182 ] [ 0.463838 0.606519 0.06897 ] [ 0.569284 0.713889 0.43126 ] [ 0.571667 0.07231 0.432039 ] [ 0.673424 0.532598 0.818419 ] [ 0.677142 0.177389 0.818081 ] [ 0.427889 0.927443 0.068089 ] [ 0.428114 0.285192 0.069032 ] [ 0.538546 0.392228 0.431188 ] [ 0.462938 0.606635 0.569331 ] [ 0.572516 0.712932 0.93073 ] [ 0.572593 0.072308 0.931733 ] [ 0.32251 0.822562 0.181749 ] [ 0.322092 0.464731 0.180845 ] [ 0.427709 0.927372 0.568331 ] [ 0.433666 0.286095 0.568354 ] [ 0.53595 0.39306 0.93074 ] [ 0.286116 0.143308 0.180878 ] [ 0.213239 0.355619 0.319116 ] [ 0.322937 0.821649 0.681975 ] [ 0.321032 0.461676 0.68067 ] [ 0.175685 0.675232 0.317997 ] [ 0.177584 0.035045 0.319085 ] [ 0.284189 0.142233 0.68092 ] [ 0.211627 0.355617 0.818715 ] [ 0.07759 0.569632 0.433245 ] [ 0.07216 0.215087 0.431193 ] [ 0.179129 0.676757 0.817722 ] [ 0.178651 0.034908 0.819134 ] [ 0.031704 0.893749 0.430982 ] [ 0.073362 0.574688 0.931662 ] [ 0.072278 0.216093 0.930858 ] [ 0.037912 0.897324 0.931867 ] ] } "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" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Cr" "Cr" "Cr" "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" 5.00637976 "source-unit" "angstrom" } "b" { "source-value" 8.66910987 "source-unit" "angstrom" } "c" { "source-value" 19.45740545 "source-unit" "angstrom" } "alpha" { "source-value" 98.2333796 "source-unit" "degree" } "beta" { "source-value" 94.77973459 "source-unit" "degree" } "gamma" { "source-value" 89.94457185 "source-unit" "degree" } }