{ "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" [ [ 0.220047 0.827962 0.68738 ] [ 0.737992 0.997403 0.052872 ] [ 0.32066 0.185459 0.195682 ] [ 0.67934 0.814541 0.804318 ] [ 0.11538 0.822695 0.331245 ] [ 0.262008 0.002597 0.947128 ] [ 0.88462 0.177305 0.668755 ] [ 0.779953 0.172038 0.31262 ] [ 0.580553 0.608612 0.572485 ] [ 0.020925 0.552568 0.664824 ] [ 0.979075 0.447432 0.335176 ] [ 0.419447 0.391388 0.427515 ] [ 0.003649 0.649615 0.799437 ] [ 0.400435 0.149911 0.998307 ] [ 0.653553 0.231282 0.514229 ] [ 0.599565 0.850089 0.001693 ] [ 0.944562 0.124517 0.877822 ] [ 0.511309 0.672747 0.7461 ] [ 0.488691 0.327253 0.2539 ] [ 0.876676 0.708749 0.505249 ] [ 0.996351 0.350385 0.200563 ] [ 0.673799 0.535553 0.381653 ] [ 0.123324 0.291251 0.494751 ] [ 0.912322 0.957786 0.676199 ] [ 0.326201 0.464447 0.618347 ] [ 0.346447 0.768718 0.485771 ] [ 0.055438 0.875483 0.122178 ] [ 0.800349 0.432526 0.681052 ] [ 0.087678 0.042214 0.323801 ] [ 0.199651 0.567474 0.318948 ] [ 0.628417 0.042299 0.247328 ] [ 0.371583 0.957701 0.752672 ] ] } "species" { "source-value" [ "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Si" "Si" "Si" "Si" "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" 5.33261357986 "source-unit" "angstrom" } "b" { "source-value" 8.57015000076 "source-unit" "angstrom" } "c" { "source-value" 8.62778476705 "source-unit" "angstrom" } "alpha" { "source-value" 69.9145838341 "source-unit" "degree" } "beta" { "source-value" 78.3335856094 "source-unit" "degree" } "gamma" { "source-value" 79.2537919685 "source-unit" "degree" } }