{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_2/mnm" } "basis-atom-coordinates" { "source-value" [ [ 0.141487 0.592438 0 ] [ 0.092438 0.358513 0.5 ] [ 0.907562 0.641487 0.5 ] [ 0.858513 0.407562 0 ] [ 0.358513 0.092438 0.5 ] [ 0.641487 0.907562 0.5 ] [ 0.592438 0.141487 0 ] [ 0.407562 0.858513 0 ] [ 0.166545 0.166545 0 ] [ 0.666545 0.333455 0.5 ] [ 0.333455 0.666545 0.5 ] [ 0.833455 0.833455 0 ] [ 0.618178 0.618178 0 ] [ 0.881822 0.118178 0.5 ] [ 0.381822 0.381822 0 ] [ 0.118178 0.881822 0.5 ] [ 0.106785 0.106785 0.5 ] [ 0.893215 0.893215 0.5 ] [ 0.393215 0.606785 0 ] [ 0.606785 0.393215 0 ] [ 0.380942 0.163344 0 ] [ 0.663344 0.119058 0.5 ] [ 0.336656 0.880942 0.5 ] [ 0.619058 0.836656 0 ] [ 0.119058 0.663344 0.5 ] [ 0.880942 0.336656 0.5 ] [ 0.163344 0.380942 0 ] [ 0.836656 0.619058 0 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Au" "Au" "Au" "Au" "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" 9.25743458 "source-unit" "angstrom" } "c" { "source-value" 3.6410729 "source-unit" "angstrom" } }