{ "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" [ [ 0.348698 0.655589 0.878558 ] [ 0.984235 0.97623 0.992771 ] [ 0.006641 0.999018 0.505375 ] [ 0.664833 0.310206 0.3969 ] [ 0.313164 0.679652 0.511639 ] [ 0.696301 0.364495 0.974794 ] [ 0.146048 0.822628 0.213272 ] [ 0.338437 0.169861 0.718907 ] [ 0.838237 0.671719 0.714965 ] [ 0.151327 0.32679 0.212937 ] [ 0.634426 0.817023 0.21922 ] [ 0.84009 0.178162 0.714355 ] [ 0.140346 0.314226 0.608164 ] [ 0.47559 0.503584 0.32834 ] [ 0.308305 0.632059 0.10419 ] [ 0.024461 0.034523 0.322522 ] [ 0.00751 0.029733 0.815171 ] [ 0.687862 0.872341 0.605605 ] [ 0.030079 0.487232 0.328981 ] [ 0.477713 0.952306 0.333569 ] [ 0.856867 0.194268 0.089049 ] [ 0.163481 0.861128 0.6122 ] [ 0.555979 0.056867 0.839946 ] [ 0.987561 0.474066 0.827612 ] [ 0.66494 0.313133 0.606157 ] [ 0.286341 0.166028 0.107383 ] [ 0.533518 0.475241 0.840375 ] [ 0.836711 0.661593 0.084883 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Mn" "Mn" "Fe" "Fe" "Fe" "Te" "Te" "Te" "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" 6.24299679 "source-unit" "angstrom" } "b" { "source-value" 6.26048545 "source-unit" "angstrom" } "c" { "source-value" 9.97393461 "source-unit" "angstrom" } "alpha" { "source-value" 90.48222136 "source-unit" "degree" } "beta" { "source-value" 92.36241339 "source-unit" "degree" } "gamma" { "source-value" 119.22083839 "source-unit" "degree" } }