{ "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" [ [ 0.754376 0.91377 0.377411 ] [ 0.247618 0.745747 0.999132 ] [ 0.75169 0.915722 0.868392 ] [ 0.239821 0.729903 0.755398 ] [ 0.237503 0.733758 0.497955 ] [ 0.226538 0.728003 0.261183 ] [ 0.761895 0.26892 0.741162 ] [ 0.771021 0.269652 0.510432 ] [ 0.770762 0.26549 0.244045 ] [ 0.756708 0.265801 0.004451 ] [ 0.251267 0.09216 0.129605 ] [ 0.249394 0.085174 0.625237 ] [ 0.787468 0.651543 0.626202 ] [ 0.774145 0.647319 0.126045 ] [ 0.211975 0.346845 0.874271 ] [ 0.223901 0.349888 0.375387 ] [ 0.70833 0.582544 0.375821 ] [ 0.701937 0.590105 0.871896 ] [ 0.294362 0.409151 0.626393 ] [ 0.290352 0.407924 0.125863 ] [ 0.720198 0.957456 0.623316 ] [ 0.732573 0.957923 0.127595 ] [ 0.269879 0.049357 0.375305 ] [ 0.283509 0.045757 0.869741 ] [ 0.339042 0.901387 0.859376 ] [ 0.280542 0.899087 0.376511 ] [ 0.977336 0.915584 0.126563 ] [ 0.963445 0.912015 0.622703 ] [ 0.539597 0.852199 0.132584 ] [ 0.521818 0.855209 0.621197 ] [ 0.777746 0.690353 0.967677 ] [ 0.816936 0.689251 0.781136 ] [ 0.810271 0.675628 0.471256 ] [ 0.814623 0.678071 0.283756 ] [ 0.392735 0.572547 0.862185 ] [ 0.39501 0.575539 0.375037 ] [ 0.191104 0.575552 0.626173 ] [ 0.181633 0.572431 0.133463 ] [ 0.81421 0.425847 0.875076 ] [ 0.806372 0.414891 0.374593 ] [ 0.60614 0.421358 0.626754 ] [ 0.602292 0.421981 0.123501 ] [ 0.190715 0.310643 0.719004 ] [ 0.190655 0.310803 0.533335 ] [ 0.195741 0.303168 0.216115 ] [ 0.185889 0.315947 0.029978 ] [ 0.478808 0.150578 0.876308 ] [ 0.484897 0.138754 0.375449 ] [ 0.038056 0.087982 0.873879 ] [ 0.041401 0.114953 0.374129 ] [ 0.674524 0.103556 0.124382 ] [ 0.67124 0.104774 0.625645 ] ] } "species" { "source-value" [ "Na" "Na" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "P" "P" "P" "P" "C" "C" "C" "C" "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" 5.01866708 "source-unit" "angstrom" } "b" { "source-value" 8.62378891 "source-unit" "angstrom" } "c" { "source-value" 13.09003797 "source-unit" "angstrom" } "alpha" { "source-value" 90.49617363 "source-unit" "degree" } "beta" { "source-value" 90.00088971 "source-unit" "degree" } "gamma" { "source-value" 92.54066036 "source-unit" "degree" } }