{ "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" [ [ 0.357308 0.978361 0.763593 ] [ 0.398201 0.626259 0.632898 ] [ 0.671915 0.649451 0.912117 ] [ 0.649358 0.67426 0.429228 ] [ 0.958963 0.729248 0.757716 ] [ 0.711566 0.281977 0.774772 ] [ 0.994115 0.38548 0.628179 ] [ 0.263385 0.689901 0.270894 ] [ 0.005073 0.34196 0.26481 ] [ 0.310119 0.348041 0.92947 ] [ 0.349299 0.311123 0.413483 ] [ 0.612215 0.38704 0.129633 ] [ 0.367423 0.030019 0.130069 ] [ 0.704721 0.003842 0.261364 ] [ 0.001911 0.986325 0.002346 ] [ 0.991145 0.997366 0.502576 ] [ 0.000047 0.041188 0.170858 ] [ 0.043326 0.000447 0.670775 ] [ 0.296502 0.674926 0.458814 ] [ 0.710377 0.986052 0.432738 ] [ 0.680357 0.632548 0.72552 ] [ 0.996145 0.705494 0.930011 ] [ 0.973253 0.326832 0.452523 ] [ 0.355492 0.320209 0.226733 ] [ 0.328021 0.979497 0.954774 ] [ 0.677941 0.290826 0.956744 ] [ 0.632194 0.682456 0.221643 ] [ 0.318914 0.352964 0.722607 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Fe" "Fe" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.52476047 "source-unit" "angstrom" } "b" { "source-value" 5.52514413 "source-unit" "angstrom" } "c" { "source-value" 10.87473028 "source-unit" "angstrom" } "alpha" { "source-value" 87.48516069 "source-unit" "degree" } "beta" { "source-value" 87.33315427 "source-unit" "degree" } "gamma" { "source-value" 61.52818147 "source-unit" "degree" } }