{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0.784464 0.453994 0.619492 ] [ 0.564833 0.875227 0.055249 ] [ 0.435167 0.124773 0.944751 ] [ 0.215536 0.546006 0.380508 ] [ 0.358454 0.112225 0.267408 ] [ 0.946553 0.192523 0.412023 ] [ 0.281779 0.53305 0.059796 ] [ 0.718221 0.46695 0.940204 ] [ 0.053447 0.807477 0.587977 ] [ 0.641546 0.887775 0.732592 ] [ 0.063051 0.794643 0.924238 ] [ 0.289771 0.54432 0.730362 ] [ 0.601955 0.854456 0.389145 ] [ 0.398045 0.145544 0.610855 ] [ 0.710229 0.45568 0.269638 ] [ 0.936949 0.205357 0.075762 ] [ 0.254849 0.957197 0.005411 ] [ 0.900747 0.741557 0.757797 ] [ 0.32991 0.659209 0.647547 ] [ 0.627169 0.965927 0.299714 ] [ 0.091828 0.391282 0.657534 ] [ 0.423686 0.688483 0.317456 ] [ 0.449012 0.602534 0.903459 ] [ 0.766425 0.926296 0.557252 ] [ 0.968359 0.326624 0.99859 ] [ 0.031641 0.673376 0.00141 ] [ 0.233575 0.073704 0.442748 ] [ 0.550988 0.397466 0.096541 ] [ 0.576314 0.311517 0.682544 ] [ 0.908172 0.608718 0.342466 ] [ 0.372831 0.034073 0.700286 ] [ 0.67009 0.340791 0.352453 ] [ 0.099253 0.258443 0.242203 ] [ 0.745151 0.042803 0.994589 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "B" "B" "B" "B" "B" "B" "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" 6.10867005 "source-unit" "angstrom" } "b" { "source-value" 7.89436547 "source-unit" "angstrom" } "c" { "source-value" 9.11189633 "source-unit" "angstrom" } "alpha" { "source-value" 110.30091815 "source-unit" "degree" } "beta" { "source-value" 107.9461456 "source-unit" "degree" } "gamma" { "source-value" 99.09130825 "source-unit" "degree" } }