{ "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" [ [ 0.739707 0.495049 0.097695 ] [ 0.236098 0.987335 0.098831 ] [ 0.598975 0.123837 0.273083 ] [ 0.382885 0.364995 0.276633 ] [ 0.110354 0.644466 0.274067 ] [ 0.402917 0.890624 0.729279 ] [ 0.613821 0.637613 0.723012 ] [ 0.10744 0.149096 0.723637 ] [ 0.265347 0.508694 0.895581 ] [ 0.74652 0.016242 0.914428 ] [ 0.486534 0.73393 0.326214 ] [ 0.970535 0.217391 0.337715 ] [ 0.019917 0.768487 0.659256 ] [ 0.535082 0.276439 0.673449 ] [ 0.762803 0.510718 0.413548 ] [ 0.262122 0.01216 0.416314 ] [ 0.737841 0.98599 0.587787 ] [ 0.239262 0.485649 0.58141 ] [ 0.514906 0.781788 0.028656 ] [ 0.03772 0.273532 0.049892 ] [ 0.976597 0.719975 0.951503 ] [ 0.4687 0.224448 0.96973 ] [ 0.403544 0.651137 0.065652 ] [ 0.908801 0.153532 0.081546 ] [ 0.957081 0.664742 0.088361 ] [ 0.594354 0.891361 0.141628 ] [ 0.432367 0.195056 0.116102 ] [ 0.115657 0.36703 0.177113 ] [ 0.635845 0.5614 0.296643 ] [ 0.804975 0.36173 0.315542 ] [ 0.293565 0.865548 0.308963 ] [ 0.12459 0.06794 0.316863 ] [ 0.929489 0.653623 0.447866 ] [ 0.779158 0.057902 0.424052 ] [ 0.304377 0.545139 0.421149 ] [ 0.422312 0.158396 0.444031 ] [ 0.594929 0.822212 0.559026 ] [ 0.689331 0.466432 0.572438 ] [ 0.208305 0.9552 0.583796 ] [ 0.091267 0.323641 0.546486 ] [ 0.896635 0.951032 0.674348 ] [ 0.183832 0.625337 0.682003 ] [ 0.682836 0.106691 0.707093 ] [ 0.374073 0.444905 0.696092 ] [ 0.869558 0.656018 0.8292 ] [ 0.550741 0.804322 0.882156 ] [ 0.382143 0.126128 0.852162 ] [ 0.088125 0.298067 0.911864 ] [ 0.58908 0.349473 0.938861 ] [ 0.104958 0.839536 0.917247 ] ] } "species" { "source-value" [ "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" 8.25897515 "source-unit" "angstrom" } "b" { "source-value" 8.27116801 "source-unit" "angstrom" } "c" { "source-value" 8.42847058 "source-unit" "angstrom" } "alpha" { "source-value" 93.25479276 "source-unit" "degree" } "beta" { "source-value" 92.92446882 "source-unit" "degree" } "gamma" { "source-value" 104.62174877 "source-unit" "degree" } }