{ "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" [ [ 0.658921 0.658921 0.5 ] [ 0.151541 0.511898 0 ] [ 0.988102 0.651541 0.5 ] [ 0.848459 0.488102 0 ] [ 0.348459 0.011898 0.5 ] [ 0.651541 0.988102 0.5 ] [ 0.511898 0.151541 0 ] [ 0.488102 0.848459 0 ] [ 0.841079 0.158921 0 ] [ 0.341079 0.341079 0.5 ] [ 0.011898 0.348459 0.5 ] [ 0.158921 0.841079 0 ] [ 0.833585 0.833585 0 ] [ 0.333585 0.666415 0.5 ] [ 0.666415 0.333585 0.5 ] [ 0.166415 0.166415 0 ] [ 0.3092 0.016128 0 ] [ 0.6908 0.983872 0 ] [ 0.483872 0.8092 0.5 ] [ 0.516128 0.1908 0.5 ] [ 0.1908 0.516128 0.5 ] [ 0.983872 0.6908 0 ] [ 0.016128 0.3092 0 ] [ 0.8092 0.483872 0.5 ] ] } "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" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.81446066 "source-unit" "angstrom" } "c" { "source-value" 4.6384352 "source-unit" "angstrom" } }