{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_132" } "basis-atom-coordinates" { "source-value" [ [ 0.10589 0.875 0.64411 ] [ 0.125 0.14411 0.39411 ] [ 0.125 0.375 0.625 ] [ 0.14411 0.39411 0.125 ] [ 0.35589 0.60589 0.625 ] [ 0.375 0.625 0.125 ] [ 0.375 0.85589 0.89411 ] [ 0.39411 0.125 0.14411 ] [ 0.60589 0.625 0.35589 ] [ 0.625 0.125 0.375 ] [ 0.625 0.35589 0.60589 ] [ 0.64411 0.10589 0.875 ] [ 0.85589 0.89411 0.375 ] [ 0.875 0.64411 0.10589 ] [ 0.875 0.875 0.875 ] [ 0.89411 0.375 0.85589 ] [ 0.117528 0.632472 0.375 ] [ 0.125 0.882472 0.132472 ] [ 0.132472 0.125 0.882472 ] [ 0.367528 0.875 0.382472 ] [ 0.375 0.117528 0.632472 ] [ 0.382472 0.367528 0.875 ] [ 0.617528 0.867528 0.625 ] [ 0.625 0.617528 0.867528 ] [ 0.632472 0.375 0.117528 ] [ 0.867528 0.625 0.617528 ] [ 0.875 0.382472 0.367528 ] [ 0.882472 0.132472 0.125 ] [ 0.090847 0.634155 0.595956 ] [ 0.095956 0.409153 0.365845 ] [ 0.115845 0.659153 0.154044 ] [ 0.119387 0.119387 0.119387 ] [ 0.130613 0.869387 0.369387 ] [ 0.134155 0.904044 0.909153 ] [ 0.154044 0.115845 0.659153 ] [ 0.159153 0.345956 0.884155 ] [ 0.340847 0.654044 0.384155 ] [ 0.345956 0.884155 0.159153 ] [ 0.365845 0.095956 0.409153 ] [ 0.369387 0.130613 0.869387 ] [ 0.380613 0.880613 0.619387 ] [ 0.384155 0.340847 0.654044 ] [ 0.404044 0.590847 0.865845 ] [ 0.409153 0.365845 0.095956 ] [ 0.590847 0.865845 0.404044 ] [ 0.595956 0.090847 0.634155 ] [ 0.615845 0.840847 0.845956 ] [ 0.619387 0.380613 0.880613 ] [ 0.630613 0.630613 0.630613 ] [ 0.634155 0.595956 0.090847 ] [ 0.654044 0.384155 0.340847 ] [ 0.659153 0.154044 0.115845 ] [ 0.840847 0.845956 0.615845 ] [ 0.845956 0.615845 0.840847 ] [ 0.865845 0.404044 0.590847 ] [ 0.869387 0.369387 0.130613 ] [ 0.880613 0.619387 0.380613 ] [ 0.884155 0.159153 0.345956 ] [ 0.904044 0.909153 0.134155 ] [ 0.909153 0.134155 0.904044 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 9.35391867 "source-unit" "angstrom" } }