{ "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" [ [ 0.28427 0.26943 0.899276 ] [ 0.477 0.498122 0.652135 ] [ 0.52961 0.533151 0.407668 ] [ 0.767446 0.75741 0.163975 ] [ 0.033383 0.344297 0.378461 ] [ 0.266772 0.927442 0.877616 ] [ 0.474456 0.151327 0.627042 ] [ 0.244571 0.558066 0.133585 ] [ 0.771978 0.438541 0.876277 ] [ 0.512903 0.858874 0.384151 ] [ 0.970696 0.658505 0.63075 ] [ 0.740719 0.077739 0.129411 ] [ 0.007851 0.679988 0.373546 ] [ 0.261386 0.598166 0.873469 ] [ 0.469293 0.808982 0.624831 ] [ 0.237139 0.896572 0.128788 ] [ 0.533745 0.188862 0.376765 ] [ 0.776151 0.11079 0.884992 ] [ 0.991557 0.326491 0.639779 ] [ 0.728302 0.393854 0.119185 ] [ 0.032112 0.092264 0.87887 ] [ 0.119326 0.714602 0.84587 ] [ 0.148173 0.496208 0.917552 ] [ 0.127374 0.206336 0.655102 ] [ 0.082653 0.429828 0.590835 ] [ 0.263148 0.842939 0.687474 ] [ 0.260797 0.669899 0.346681 ] [ 0.512537 0.579409 0.856462 ] [ 0.636871 0.22499 0.848807 ] [ 0.450762 0.07887 0.421031 ] [ 0.416085 0.327385 0.394274 ] [ 0.63991 0.020142 0.929753 ] [ 0.367117 0.980134 0.075812 ] [ 0.583273 0.667395 0.606349 ] [ 0.553007 0.913686 0.576155 ] [ 0.384479 0.794621 0.178399 ] [ 0.46371 0.381331 0.107467 ] [ 0.748289 0.355138 0.679032 ] [ 0.745922 0.157154 0.317908 ] [ 0.917112 0.57374 0.41761 ] [ 0.84968 0.792196 0.350742 ] [ 0.838641 0.508285 0.08335 ] [ 0.888378 0.291502 0.160734 ] [ 0.977085 0.911003 0.130512 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "B" "B" "B" "B" "B" "B" "B" "B" "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" 5.22683641 "source-unit" "angstrom" } "b" { "source-value" 9.10604233 "source-unit" "angstrom" } "c" { "source-value" 11.39827003 "source-unit" "angstrom" } "alpha" { "source-value" 112.67459844 "source-unit" "degree" } "beta" { "source-value" 103.00084033 "source-unit" "degree" } "gamma" { "source-value" 89.63024446 "source-unit" "degree" } }