{ "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" [ [ 0.972829 0.033429 0.599098 ] [ 0.731331 0.247631 0.839582 ] [ 0.01693 0.00693 0.336135 ] [ 0.244905 0.736025 0.857199 ] [ 0.985917 0.358169 0.61884 ] [ 0.728107 0.930345 0.124169 ] [ 0.530274 0.164903 0.364218 ] [ 0.751288 0.557362 0.875486 ] [ 0.231191 0.43834 0.123172 ] [ 0.48107 0.848494 0.616878 ] [ 0.02727 0.651184 0.367559 ] [ 0.253791 0.05799 0.877245 ] [ 0.975158 0.689154 0.622815 ] [ 0.726979 0.607019 0.117 ] [ 0.516537 0.819677 0.369307 ] [ 0.758138 0.898184 0.86664 ] [ 0.486832 0.17916 0.627889 ] [ 0.237895 0.102503 0.125054 ] [ 0.032334 0.307001 0.379305 ] [ 0.262501 0.397375 0.869246 ] [ 0.9905 0.071629 0.14248 ] [ 0.853719 0.715938 0.161314 ] [ 0.86877 0.514854 0.07711 ] [ 0.917207 0.164157 0.396582 ] [ 0.942712 0.410563 0.427197 ] [ 0.752525 0.854342 0.327119 ] [ 0.741293 0.678443 0.661094 ] [ 0.466174 0.59615 0.10567 ] [ 0.362934 0.22144 0.15667 ] [ 0.571111 0.069244 0.583762 ] [ 0.652459 0.287079 0.648492 ] [ 0.367207 0.013589 0.077906 ] [ 0.662086 0.999465 0.916866 ] [ 0.383051 0.697104 0.363363 ] [ 0.423991 0.926621 0.418832 ] [ 0.588202 0.799454 0.82393 ] [ 0.519881 0.389145 0.870591 ] [ 0.241825 0.342499 0.32014 ] [ 0.239529 0.170786 0.655827 ] [ 0.054984 0.579057 0.580568 ] [ 0.126493 0.812667 0.630144 ] [ 0.154176 0.503557 0.910422 ] [ 0.096922 0.297661 0.823887 ] [ 0.010587 0.899006 0.854318 ] ] } "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" 5.2763021 "source-unit" "angstrom" } "b" { "source-value" 9.09859707 "source-unit" "angstrom" } "c" { "source-value" 11.34816788 "source-unit" "angstrom" } "alpha" { "source-value" 113.58727436 "source-unit" "degree" } "beta" { "source-value" 102.18013266 "source-unit" "degree" } "gamma" { "source-value" 90.44859898 "source-unit" "degree" } }