{ "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" [ [ 0.771012 0.90452 0.942125 ] [ 0.31096 0.777437 0.941471 ] [ 0.912424 0.318663 0.936696 ] [ 0.235829 0.665736 0.560173 ] [ 0.769058 0.332492 0.445751 ] [ 0.685931 0.224864 0.056604 ] [ 0.671895 0.09207 0.561392 ] [ 0.038726 0.996635 0.50079 ] [ 0.429642 0.570464 0.751782 ] [ 0.563389 0.438469 0.249967 ] [ 0.99629 0.56791 0.24965 ] [ 0.006489 0.431943 0.74438 ] [ 0.563553 0.998064 0.749069 ] [ 0.430813 0.000951 0.253704 ] [ 0.770067 0.912854 0.161479 ] [ 0.917361 0.775709 0.658325 ] [ 0.307344 0.917055 0.65503 ] [ 0.670469 0.662523 0.869584 ] [ 0.667201 0.665323 0.369549 ] [ 0.316072 0.775486 0.159334 ] [ 0.222958 0.686219 0.340705 ] [ 0.912096 0.317751 0.154237 ] [ 0.08273 0.684796 0.8447 ] [ 0.771892 0.317022 0.660219 ] [ 0.678498 0.23037 0.840614 ] [ 0.335987 0.335938 0.627148 ] [ 0.334509 0.332085 0.132115 ] [ 0.685602 0.089397 0.343878 ] [ 0.082631 0.224335 0.338716 ] [ 0.228218 0.085558 0.840253 ] [ 0.768503 0.01547 0.434597 ] [ 0.744642 0.914908 0.660989 ] [ 0.990897 0.764274 0.930835 ] [ 0.914127 0.744365 0.165401 ] [ 0.617496 0.906376 0.179682 ] [ 0.67146 0.812768 0.829211 ] [ 0.462883 0.918174 0.666185 ] [ 0.235979 0.99678 0.927307 ] [ 0.342147 0.918143 0.168524 ] [ 0.813286 0.667601 0.323495 ] [ 0.916351 0.617291 0.670908 ] [ 0.518362 0.813024 0.327205 ] [ 0.676773 0.656695 0.975423 ] [ 0.672474 0.652527 0.474696 ] [ 0.515139 0.669198 0.831709 ] [ 0.903957 0.47698 0.176534 ] [ 0.817689 0.512963 0.824733 ] [ 0.340705 0.742365 0.665789 ] [ 0.204828 0.7947 0.249614 ] [ 0.218758 0.765434 0.431648 ] [ 0.249015 0.761995 0.068407 ] [ 0.477487 0.621798 0.180875 ] [ 0.672423 0.510857 0.327619 ] [ 0.251553 0.663019 0.842437 ] [ 0.617926 0.472692 0.672039 ] [ 0.916409 0.342013 0.666042 ] [ 0.997681 0.794813 0.752787 ] [ 0.006676 0.78375 0.574448 ] [ 0.992945 0.21005 0.420895 ] [ 0.08364 0.654665 0.331444 ] [ 0.380809 0.528421 0.325031 ] [ 0.742377 0.339108 0.162218 ] [ 0.323348 0.490676 0.667877 ] [ 0.518172 0.380891 0.820487 ] [ 0.754111 0.24616 0.929314 ] [ 0.778757 0.22743 0.571641 ] [ 0.791883 0.206718 0.750961 ] [ 0.657662 0.260992 0.337346 ] [ 0.184488 0.474985 0.176931 ] [ 0.092768 0.524164 0.822261 ] [ 0.485211 0.334843 0.174194 ] [ 0.344789 0.327506 0.027086 ] [ 0.326099 0.342088 0.521848 ] [ 0.488333 0.189784 0.666216 ] [ 0.079784 0.383119 0.329 ] [ 0.188743 0.330512 0.675175 ] [ 0.66125 0.082252 0.841039 ] [ 0.792953 0.002642 0.251319 ] [ 0.760033 0.000112 0.071346 ] [ 0.529192 0.08851 0.329135 ] [ 0.341093 0.182425 0.179278 ] [ 0.38128 0.094003 0.820599 ] [ 0.083814 0.256531 0.837325 ] [ 0.986622 0.248847 0.061812 ] [ 0.007192 0.202551 0.241299 ] [ 0.255917 0.086382 0.335876 ] [ 0.209994 0.990746 0.569903 ] [ 0.203861 0.002865 0.748675 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "V" "V" "V" "V" "V" "V" "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" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.76418627 "source-unit" "angstrom" } "b" { "source-value" 9.77913143 "source-unit" "angstrom" } "c" { "source-value" 14.07859766 "source-unit" "angstrom" } "alpha" { "source-value" 89.67894681 "source-unit" "degree" } "beta" { "source-value" 89.74774832 "source-unit" "degree" } "gamma" { "source-value" 60.06497143 "source-unit" "degree" } }