{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1nb" } "basis-atom-coordinates" { "source-value" [ [ 0.364807 0.125689 0.033608 ] [ 0.864807 0.874311 0.966392 ] [ 0.864807 0.374311 0.533608 ] [ 0.364807 0.625689 0.466392 ] [ 0.591567 0.416838 0.295214 ] [ 0.091567 0.583162 0.704786 ] [ 0.091567 0.083162 0.795214 ] [ 0.591567 0.916838 0.204786 ] [ 0.357575 0.106439 0.571671 ] [ 0.857575 0.893561 0.428329 ] [ 0.857575 0.393561 0.071671 ] [ 0.357575 0.606439 0.928329 ] [ 0.110612 0.15083 0.319105 ] [ 0.610612 0.84917 0.680895 ] [ 0.610612 0.34917 0.819105 ] [ 0.110612 0.65083 0.180895 ] [ 0.47629 0.036168 0.391508 ] [ 0.97629 0.963832 0.608492 ] [ 0.97629 0.463832 0.891508 ] [ 0.47629 0.536168 0.108492 ] [ 0.000448 0.036636 0.141776 ] [ 0.500448 0.963364 0.858224 ] [ 0.500448 0.463364 0.641776 ] [ 0.000448 0.536636 0.358224 ] ] } "species" { "source-value" [ "Tl" "Tl" "Tl" "Tl" "Tl" "Tl" "Tl" "Tl" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.68126824 "source-unit" "angstrom" } "b" { "source-value" 6.71542127 "source-unit" "angstrom" } "c" { "source-value" 14.85436724 "source-unit" "angstrom" } }