{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-rhombohedral-crystal-npt" "instance-id" 1 "space-group" { "source-value" "R-3" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.133308 ] [ 0 0 0.866692 ] [ 0.666667 0.333333 0.466641 ] [ 0.666667 0.333333 0.200026 ] [ 0.333333 0.666667 0.799974 ] [ 0.333333 0.666667 0.533359 ] [ 0.333333 0.666667 0.005186 ] [ 0.666667 0.333333 0.994814 ] [ 0 0 0.33852 ] [ 0.333333 0.666667 0.328147 ] [ 0.666667 0.333333 0.671853 ] [ 0 0 0.66148 ] [ 0.369389 0.3778 0.927256 ] [ 0.008411 0.630611 0.927256 ] [ 0.3778 0.008411 0.072744 ] [ 0.630611 0.6222 0.072744 ] [ 0.991589 0.369389 0.072744 ] [ 0.6222 0.991589 0.927256 ] [ 0.036056 0.711133 0.26059 ] [ 0.675078 0.963944 0.26059 ] [ 0.044467 0.341744 0.406077 ] [ 0.297278 0.955533 0.406077 ] [ 0.658256 0.702722 0.406077 ] [ 0.288867 0.324922 0.26059 ] [ 0.702722 0.044467 0.593923 ] [ 0.341744 0.297278 0.593923 ] [ 0.711133 0.675078 0.73941 ] [ 0.963944 0.288867 0.73941 ] [ 0.324922 0.036056 0.73941 ] [ 0.955533 0.658256 0.593923 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "As" "As" "As" "As" "As" "As" "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" 4.89837295 "source-unit" "angstrom" } "alpha" { "source-value" 90 "source-unit" "degree" } }