{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcmn" } "basis-atom-coordinates" { "source-value" [ [ 0.182738 0.75 0.09421 ] [ 0.817262 0.25 0.90579 ] [ 0.682738 0.25 0.40579 ] [ 0.317262 0.75 0.59421 ] [ 0.138873 0.997694 0.360623 ] [ 0.638873 0.497694 0.139377 ] [ 0.361127 0.997694 0.860623 ] [ 0.638873 0.002306 0.139377 ] [ 0.138873 0.502306 0.360623 ] [ 0.361127 0.502306 0.860623 ] [ 0.861127 0.002306 0.639377 ] [ 0.861127 0.497694 0.639377 ] [ 0.672523 0.75 0.377113 ] [ 0.172523 0.25 0.122887 ] [ 0.327477 0.25 0.622887 ] [ 0.827477 0.75 0.877113 ] [ 0.584808 0.75 0.981843 ] [ 0.084808 0.25 0.518157 ] [ 0.572194 0.25 0.726139 ] [ 0.415192 0.25 0.018157 ] [ 0.915192 0.75 0.481843 ] [ 0.427806 0.75 0.273861 ] [ 0.927806 0.25 0.226139 ] [ 0.072194 0.75 0.773861 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "K" "K" "K" "K" "K" "K" "K" "K" "Au" "Au" "Au" "Au" "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" 6.3648064 "source-unit" "angstrom" } "b" { "source-value" 7.46010049 "source-unit" "angstrom" } "c" { "source-value" 12.71218689 "source-unit" "angstrom" } }