{ "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" [ [ 0.146237 0.045529 0.731185 ] [ 0.853763 0.954471 0.268815 ] [ 0.206558 0.634924 0.68918 ] [ 0.793442 0.365076 0.31082 ] [ 0.369891 0.218093 0.058039 ] [ 0.691289 0.225217 0.694572 ] [ 0.308711 0.774783 0.305428 ] [ 0.249996 0.338851 0.328023 ] [ 0.750004 0.661149 0.671977 ] [ 0.630109 0.781907 0.941961 ] [ 0.172923 0.799299 0.403944 ] [ 0.717055 0.019743 0.909886 ] [ 0.234932 0.58784 0.239045 ] [ 0.554146 0.750835 0.451522 ] [ 0.445854 0.249165 0.548478 ] [ 0.051381 0.227289 0.371156 ] [ 0.733417 0.656488 0.186265 ] [ 0.266583 0.343512 0.813735 ] [ 0.948619 0.772711 0.628844 ] [ 0.725614 0.705891 0.836582 ] [ 0.274386 0.294109 0.163418 ] [ 0.383733 0.795037 0.835754 ] [ 0.765068 0.41216 0.760955 ] [ 0.282945 0.980257 0.090114 ] [ 0.827077 0.200701 0.596056 ] [ 0.616267 0.204963 0.164246 ] ] } "species" { "source-value" [ "Ca" "Ca" "Zn" "Zn" "Si" "Si" "Si" "Si" "Si" "Si" "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" 7.30417024891 "source-unit" "angstrom" } "b" { "source-value" 7.36416453948 "source-unit" "angstrom" } "c" { "source-value" 8.07487799367 "source-unit" "angstrom" } "alpha" { "source-value" 115.785101319 "source-unit" "degree" } "beta" { "source-value" 106.451782493 "source-unit" "degree" } "gamma" { "source-value" 100.527819495 "source-unit" "degree" } }