{ "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" [ [ 0.00844 0.342706 0.651902 ] [ 0.007689 0.682743 0.313295 ] [ 0.401213 0.438975 0.001921 ] [ 0.249222 0.093843 0.220813 ] [ 0.24878 0.853224 0.796107 ] [ 0.749147 0.770393 0.904513 ] [ 0.613747 0.99996 0.536329 ] [ 0.75918 0.204192 0.149524 ] [ 0.213968 0.375195 0.997467 ] [ 0.224113 0.030644 0.374038 ] [ 0.209888 0.657087 0.624105 ] [ 0.795426 0.618569 0.963177 ] [ 0.798562 0.999407 0.605593 ] [ 0.806944 0.376764 0.341436 ] ] } "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" 4.99653006955 "source-unit" "angstrom" } "b" { "source-value" 5.03914917528 "source-unit" "angstrom" } "c" { "source-value" 5.05129350167 "source-unit" "angstrom" } "alpha" { "source-value" 117.887055868 "source-unit" "degree" } "beta" { "source-value" 92.1552057712 "source-unit" "degree" } "gamma" { "source-value" 91.3003027134 "source-unit" "degree" } }