{ "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" [ [ 0.168916 0.329411 0.003711 ] [ 0.831084 0.670589 0.996289 ] [ 0.063791 0.633537 0.410542 ] [ 0.936209 0.366463 0.589458 ] [ 0.542561 0.912073 0.209429 ] [ 0.284899 0.170968 0.409006 ] [ 0.715101 0.829032 0.590994 ] [ 0.457439 0.087927 0.790571 ] [ 0.052983 0.518505 0.78081 ] [ 0.199722 0.088109 0.205587 ] [ 0.565851 0.733133 0.217513 ] [ 0.434149 0.266867 0.782487 ] [ 0.800278 0.911891 0.794413 ] [ 0.947017 0.481495 0.21919 ] ] } "species" { "source-value" [ "Al" "Al" "H" "H" "H" "H" "H" "H" "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" 5.06575669246 "source-unit" "angstrom" } "b" { "source-value" 5.07027167635 "source-unit" "angstrom" } "c" { "source-value" 5.25734545116 "source-unit" "angstrom" } "alpha" { "source-value" 106.884782997 "source-unit" "degree" } "beta" { "source-value" 96.2936811558 "source-unit" "degree" } "gamma" { "source-value" 118.066613197 "source-unit" "degree" } }