{ "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" [ [ 0.171516 0.333993 0.002158 ] [ 0.828484 0.666007 0.997842 ] [ 0.585985 0.913914 0.797798 ] [ 0.089078 0.630902 0.40684 ] [ 0.414015 0.086086 0.202202 ] [ 0.910922 0.369098 0.59316 ] [ 0.662714 0.781952 0.414095 ] [ 0.337286 0.218048 0.585905 ] [ 0.226145 0.096509 0.210173 ] [ 0.041832 0.524347 0.78408 ] [ 0.958168 0.475653 0.21592 ] [ 0.415062 0.266648 0.784445 ] [ 0.773855 0.903491 0.789827 ] [ 0.584938 0.733352 0.215555 ] ] } "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" 5.0395785787 "source-unit" "angstrom" } "b" { "source-value" 5.09405107856 "source-unit" "angstrom" } "c" { "source-value" 5.35956736234 "source-unit" "angstrom" } "alpha" { "source-value" 105.959534669 "source-unit" "degree" } "beta" { "source-value" 98.8944314914 "source-unit" "degree" } "gamma" { "source-value" 119.003284324 "source-unit" "degree" } }