{ "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" [ [ 0.630793 0.204011 0.326552 ] [ 0.300322 0.795733 0.637214 ] [ 0.663111 0.30922 0.734205 ] [ 0.969626 0.965203 0.973124 ] [ 0.381729 0.293424 0.621668 ] [ 0.726607 0.734662 0.438992 ] [ 0.068055 0.157383 0.189112 ] [ 0.896613 0.858708 0.818318 ] ] } "species" { "source-value" [ "Al" "Al" "H" "H" "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" 2.96530418397 "source-unit" "angstrom" } "b" { "source-value" 3.73581358153 "source-unit" "angstrom" } "c" { "source-value" 6.78621399661 "source-unit" "angstrom" } "alpha" { "source-value" 99.5338237118 "source-unit" "degree" } "beta" { "source-value" 101.752486514 "source-unit" "degree" } "gamma" { "source-value" 89.5891431385 "source-unit" "degree" } }