{ "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" [ [ 0.750656 0.479275 0.594136 ] [ 0.249344 0.520725 0.405864 ] [ 0.259905 0.179453 0.120515 ] [ 0.740095 0.820547 0.879485 ] [ 0.760477 0.879528 0.505565 ] [ 0.239523 0.120472 0.494435 ] [ 0.743346 0.528164 0.20846 ] [ 0.256654 0.471836 0.79154 ] [ 0.2554 0.80862 0.648199 ] [ 0.7446 0.19138 0.351801 ] [ 0.505088 0.105935 0.770143 ] [ 0.266145 0.854375 0.941131 ] [ 0.002809 0.103759 0.772819 ] [ 0.997191 0.896241 0.227181 ] [ 0.770272 0.394647 0.893622 ] [ 0.229728 0.605353 0.106378 ] [ 0.733855 0.145625 0.058869 ] [ 0.494912 0.894065 0.229857 ] [ 0.545677 0.755316 0.51998 ] [ 0.454323 0.244684 0.48002 ] [ 0.004989 0.225945 0.464691 ] [ 0.995011 0.774055 0.535309 ] [ 0.02113 0.117902 0.186468 ] [ 0.97887 0.882098 0.813532 ] [ 0.727427 0.911875 0.032221 ] [ 0.272573 0.088125 0.967779 ] [ 0.745276 0.040278 0.617786 ] [ 0.254724 0.959722 0.382214 ] [ 0.761021 0.61852 0.884248 ] [ 0.238978 0.38148 0.115752 ] [ 0.767348 0.15716 0.880344 ] [ 0.232652 0.84284 0.119656 ] [ 0.731434 0.383014 0.074175 ] [ 0.268566 0.616986 0.925825 ] [ 0.477579 0.343287 0.783217 ] [ 0.522421 0.656713 0.216783 ] [ 0.756892 0.949182 0.34106 ] [ 0.243108 0.050818 0.65894 ] [ 0.252601 0.579023 0.667054 ] [ 0.747399 0.420977 0.332946 ] [ 0.512379 0.131264 0.201455 ] [ 0.02345 0.341706 0.781387 ] [ 0.487621 0.868736 0.798545 ] [ 0.97655 0.658294 0.218613 ] ] } "species" { "source-value" [ "Tl" "Tl" "V" "V" "V" "V" "V" "V" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "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" 6.20380212562 "source-unit" "angstrom" } "b" { "source-value" 8.32024625018 "source-unit" "angstrom" } "c" { "source-value" 10.9277673376 "source-unit" "angstrom" } "alpha" { "source-value" 97.5622060118 "source-unit" "degree" } "beta" { "source-value" 92.7374644126 "source-unit" "degree" } "gamma" { "source-value" 90.685462487 "source-unit" "degree" } }