{ "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" [ [ 0.640629 0.542892 0.507079 ] [ 0.644487 0.541802 0.171221 ] [ 0.137075 0.539843 0.007397 ] [ 0.148013 0.545761 0.671336 ] [ 0.940966 0.927804 0.662786 ] [ 0.927728 0.924455 0.334138 ] [ 0.441974 0.92509 0.162393 ] [ 0.426189 0.925677 0.834219 ] [ 0.795193 0.690007 0.939568 ] [ 0.879583 0.288042 0.828487 ] [ 0.899323 0.292808 0.496203 ] [ 0.888151 0.286318 0.183312 ] [ 0.30449 0.704784 0.442239 ] [ 0.383475 0.285894 0.332431 ] [ 0.386146 0.285124 0.001801 ] [ 0.39497 0.292766 0.686079 ] [ 0.88973 0.704883 0.647976 ] [ 0.815496 0.701871 0.338172 ] [ 0.939539 0.020764 0.500729 ] [ 0.727609 0.997866 0.768555 ] [ 0.736707 0.01895 0.235592 ] [ 0.387351 0.702015 0.147597 ] [ 0.316449 0.702912 0.838788 ] [ 0.437661 0.020001 0.001616 ] [ 0.230449 0.994648 0.269987 ] [ 0.234217 0.021497 0.73766 ] [ 0.887317 0.690167 0.032969 ] [ 0.983848 0.415839 0.834299 ] [ 0.903147 0.417818 0.530138 ] [ 0.895841 0.405768 0.14204 ] [ 0.393583 0.695613 0.534789 ] [ 0.483712 0.414728 0.335955 ] [ 0.397542 0.413089 0.030889 ] [ 0.40041 0.410502 0.642562 ] ] } "species" { "source-value" [ "Al" "Al" "Al" "Al" "Si" "Si" "Si" "Si" "H" "H" "H" "H" "H" "H" "H" "H" "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" 5.21609918233 "source-unit" "angstrom" } "b" { "source-value" 7.48368874871 "source-unit" "angstrom" } "c" { "source-value" 9.05692709492 "source-unit" "angstrom" } "alpha" { "source-value" 91.7874024173 "source-unit" "degree" } "beta" { "source-value" 89.7263697088 "source-unit" "degree" } "gamma" { "source-value" 104.973447398 "source-unit" "degree" } }