{ "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" [ [ 0.226541 0.914446 0.061597 ] [ 0.674292 0.905533 0.552613 ] [ 0.090264 0.322725 0.060629 ] [ 0.766387 0.663309 0.440028 ] [ 0.233552 0.330608 0.55926 ] [ 0.910161 0.683701 0.939819 ] [ 0.780015 0.080747 0.944901 ] [ 0.045607 0.013746 0.490975 ] [ 0.566574 0.568024 0.243874 ] [ 0.432315 0.433319 0.756084 ] [ 0.002817 0.569097 0.743207 ] [ 0.992899 0.430686 0.258285 ] [ 0.432674 0.001976 0.253369 ] [ 0.560819 0.998846 0.745153 ] [ 0.228882 0.911889 0.842915 ] [ 0.084353 0.779367 0.338967 ] [ 0.688823 0.911424 0.34089 ] [ 0.323221 0.66191 0.131526 ] [ 0.337898 0.665506 0.630961 ] [ 0.685663 0.775009 0.839784 ] [ 0.76612 0.681901 0.657707 ] [ 0.084645 0.320669 0.842689 ] [ 0.911846 0.679122 0.156581 ] [ 0.231393 0.316406 0.343433 ] [ 0.313117 0.227654 0.160685 ] [ 0.662804 0.338931 0.370158 ] [ 0.669712 0.333026 0.866877 ] [ 0.3021 0.086152 0.661022 ] [ 0.915136 0.221063 0.659745 ] [ 0.770625 0.088348 0.160937 ] [ 0.202378 0.005563 0.577693 ] [ 0.257127 0.912916 0.335 ] [ 0.995485 0.751389 0.0663 ] [ 0.080738 0.747221 0.835331 ] [ 0.379889 0.90088 0.815783 ] [ 0.327603 0.814501 0.168046 ] [ 0.532435 0.910981 0.330048 ] [ 0.768641 0.012643 0.069959 ] [ 0.660541 0.919952 0.83985 ] [ 0.196104 0.675701 0.671381 ] [ 0.078984 0.618112 0.33168 ] [ 0.494948 0.814164 0.673024 ] [ 0.325398 0.647944 0.027361 ] [ 0.356264 0.66643 0.526944 ] [ 0.47117 0.657711 0.179383 ] [ 0.09372 0.479121 0.820996 ] [ 0.175946 0.516028 0.175429 ] [ 0.661689 0.739792 0.331184 ] [ 0.785343 0.797771 0.743948 ] [ 0.764838 0.759967 0.567318 ] [ 0.773513 0.767245 0.922791 ] [ 0.523908 0.620821 0.82373 ] [ 0.329078 0.512254 0.674101 ] [ 0.742661 0.656084 0.162123 ] [ 0.387816 0.470233 0.329404 ] [ 0.090159 0.348586 0.331516 ] [ 0.008471 0.79771 0.241147 ] [ 0.994108 0.796315 0.418963 ] [ 0.007718 0.202518 0.582021 ] [ 0.908964 0.654717 0.665441 ] [ 0.612532 0.525887 0.675548 ] [ 0.253971 0.343265 0.834681 ] [ 0.675075 0.492822 0.325914 ] [ 0.476319 0.37937 0.177844 ] [ 0.226428 0.240122 0.078824 ] [ 0.214368 0.233968 0.434627 ] [ 0.212749 0.202544 0.257119 ] [ 0.341309 0.261064 0.665539 ] [ 0.816014 0.482434 0.829042 ] [ 0.903934 0.521311 0.178304 ] [ 0.520224 0.336389 0.822858 ] [ 0.662803 0.320086 0.970858 ] [ 0.680498 0.358162 0.474057 ] [ 0.516742 0.194818 0.328551 ] [ 0.915323 0.377119 0.667005 ] [ 0.812854 0.333335 0.325788 ] [ 0.336173 0.082502 0.159718 ] [ 0.21107 0.011998 0.758641 ] [ 0.247653 0.989163 0.935629 ] [ 0.460449 0.080371 0.67008 ] [ 0.665007 0.18252 0.819196 ] [ 0.616911 0.093473 0.180969 ] [ 0.916343 0.258277 0.167119 ] [ 0.004349 0.250531 0.933715 ] [ 0.98517 0.199404 0.759812 ] [ 0.741153 0.078882 0.659817 ] [ 0.778291 0.980444 0.430344 ] [ 0.795572 0.99997 0.249731 ] ] } "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" 9.73271854 "source-unit" "angstrom" } "b" { "source-value" 9.78235087 "source-unit" "angstrom" } "c" { "source-value" 14.18488115 "source-unit" "angstrom" } "alpha" { "source-value" 90.39399957 "source-unit" "degree" } "beta" { "source-value" 90.03502984 "source-unit" "degree" } "gamma" { "source-value" 119.63779074 "source-unit" "degree" } }