{ "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" [ [ 0.252381 0.916129 0.878087 ] [ 0.99859 0.748659 0.62447 ] [ 0.501592 0.748316 0.126654 ] [ 0.499474 0.252066 0.375912 ] [ 0.239839 0.91838 0.37657 ] [ 0.48111 0.73274 0.6145 ] [ 0.016335 0.732334 0.120959 ] [ 0.518753 0.266538 0.882919 ] [ 0.980067 0.266736 0.884265 ] [ 0.986017 0.264684 0.383661 ] [ 0.746725 0.085628 0.625482 ] [ 0.763851 0.086961 0.124388 ] [ 0.752328 0.641566 0.887365 ] [ 0.747615 0.641745 0.3888 ] [ 0.244894 0.353817 0.612849 ] [ 0.250045 0.356074 0.109821 ] [ 0.254823 0.584879 0.850345 ] [ 0.240646 0.594506 0.351523 ] [ 0.744208 0.402741 0.649117 ] [ 0.759321 0.405914 0.145926 ] [ 0.749427 0.958792 0.867245 ] [ 0.760229 0.955092 0.365389 ] [ 0.257988 0.045964 0.629421 ] [ 0.238895 0.052317 0.139017 ] [ 0.281286 0.89963 0.647342 ] [ 0.223263 0.904263 0.153836 ] [ 0.750316 0.910861 0.988525 ] [ 0.751194 0.909683 0.487683 ] [ 0.749844 0.85913 0.768618 ] [ 0.750802 0.853825 0.268077 ] [ 0.068926 0.677614 0.897668 ] [ 0.438878 0.676215 0.902733 ] [ 0.062895 0.696063 0.39789 ] [ 0.43065 0.685737 0.39722 ] [ 0.261552 0.579077 0.695446 ] [ 0.732577 0.570215 0.596684 ] [ 0.236155 0.579923 0.196529 ] [ 0.768637 0.573076 0.093726 ] [ 0.250411 0.415785 0.89897 ] [ 0.75317 0.414623 0.804583 ] [ 0.23291 0.429381 0.406842 ] [ 0.767774 0.418504 0.300726 ] [ 0.561948 0.302874 0.606408 ] [ 0.928211 0.312965 0.59614 ] [ 0.568266 0.31646 0.100788 ] [ 0.93367 0.304783 0.092809 ] [ 0.244338 0.140017 0.731329 ] [ 0.244312 0.142622 0.243119 ] [ 0.246623 0.09838 0.509934 ] [ 0.250529 0.11182 0.022249 ] [ 0.748584 0.104794 0.841842 ] [ 0.777128 0.099102 0.337597 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "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" 6.70327949 "source-unit" "angstrom" } "b" { "source-value" 8.68884647 "source-unit" "angstrom" } "c" { "source-value" 10.08331654 "source-unit" "angstrom" } "alpha" { "source-value" 91.17794344 "source-unit" "degree" } "beta" { "source-value" 90.05612383 "source-unit" "degree" } "gamma" { "source-value" 90.34966189 "source-unit" "degree" } }