{ "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" [ [ 0.880282 0.373696 0 ] [ 0.873696 0.619718 0.5 ] [ 0.853034 0.146966 0.5 ] [ 0.646966 0.646966 0 ] [ 0.626304 0.119718 0 ] [ 0.619718 0.873696 0.5 ] [ 0.380282 0.126304 0.5 ] [ 0.373696 0.880282 0 ] [ 0.353034 0.353034 0 ] [ 0.146966 0.853034 0.5 ] [ 0.126304 0.380282 0.5 ] [ 0.119718 0.626304 0 ] [ 0.883615 0.883615 0 ] [ 0.616385 0.383615 0.5 ] [ 0.383615 0.616385 0.5 ] [ 0.116385 0.116385 0 ] [ 0.898118 0.101882 0 ] [ 0.885201 0.671975 0 ] [ 0.828025 0.385201 0.5 ] [ 0.671975 0.885201 0 ] [ 0.614799 0.171975 0.5 ] [ 0.601882 0.601882 0.5 ] [ 0.398118 0.398118 0.5 ] [ 0.385201 0.828025 0.5 ] [ 0.328025 0.114799 0 ] [ 0.171975 0.614799 0.5 ] [ 0.114799 0.328025 0 ] [ 0.101882 0.898118 0 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "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" 9.57381813 "source-unit" "angstrom" } "c" { "source-value" 4.56254214 "source-unit" "angstrom" } }