{ "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" [ [ 0.52584 0.83505 0.49122 ] [ 0.47416 0.16495 0.50878 ] [ 0.106643 0.29394 0.019064 ] [ 0.893357 0.70606 0.980936 ] [ 0.206037 0.824933 0.811893 ] [ 0.157471 0.395679 0.789947 ] [ 0.495066 0.85089 0.907992 ] [ 0.418602 0.504566 0.855237 ] [ 0.240901 0.961064 0.100185 ] [ 0.310625 0.832617 0.204053 ] [ 0.350942 0.447824 0.408278 ] [ 0.296564 0.415454 0.252409 ] [ 0.703436 0.584546 0.747591 ] [ 0.649058 0.552176 0.591722 ] [ 0.689375 0.167383 0.795947 ] [ 0.759099 0.038936 0.899815 ] [ 0.581398 0.495434 0.144763 ] [ 0.504934 0.14911 0.092008 ] [ 0.842529 0.604321 0.210053 ] [ 0.793963 0.175067 0.188107 ] [ 0.055027 0.981096 0.648888 ] [ 0.030305 0.33452 0.571797 ] [ 0.380821 0.464867 0.675404 ] [ 0.423212 0.00214 0.784925 ] [ 0.576788 0.99786 0.215075 ] [ 0.619179 0.535133 0.324596 ] [ 0.969695 0.66548 0.428203 ] [ 0.944973 0.018904 0.351112 ] [ 0.165884 0.727275 0.436769 ] [ 0.372254 0.88238 0.836344 ] [ 0.308009 0.458435 0.779444 ] [ 0.245986 0.400014 0.572708 ] [ 0.142693 0.0767 0.390326 ] [ 0.269638 0.0502 0.688987 ] [ 0.362623 0.923103 0.168687 ] [ 0.40493 0.462061 0.32868 ] [ 0.59507 0.537939 0.67132 ] [ 0.637377 0.076897 0.831313 ] [ 0.730362 0.9498 0.311013 ] [ 0.857307 0.9233 0.609674 ] [ 0.754014 0.599986 0.427292 ] [ 0.691991 0.541565 0.220556 ] [ 0.627746 0.11762 0.163656 ] [ 0.834116 0.272725 0.563231 ] [ 0.050493 0.660617 0.084314 ] [ 0.019749 0.321707 0.124171 ] [ 0.11862 0.148127 0.006929 ] [ 0.651122 0.638395 0.968005 ] [ 0.348878 0.361605 0.031995 ] [ 0.88138 0.851873 0.993071 ] [ 0.980251 0.678293 0.875829 ] [ 0.949507 0.339383 0.915686 ] ] } "species" { "source-value" [ "Ag" "Ag" "B" "B" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "C" "C" "C" "C" "C" "C" "C" "C" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "F" "F" "F" "F" "F" "F" "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" 5.57149398 "source-unit" "angstrom" } "b" { "source-value" 9.70559657 "source-unit" "angstrom" } "c" { "source-value" 11.41486544 "source-unit" "angstrom" } "alpha" { "source-value" 90.4646106 "source-unit" "degree" } "beta" { "source-value" 102.58785485 "source-unit" "degree" } "gamma" { "source-value" 95.66455637 "source-unit" "degree" } }