{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4/mcm" } "basis-atom-coordinates" { "source-value" [ [ 0.34776 0.15224 0 ] [ 0.15224 0.65224 0 ] [ 0.34776 0.84776 0.5 ] [ 0.65224 0.84776 0 ] [ 0.84776 0.65224 0.5 ] [ 0.65224 0.15224 0.5 ] [ 0.84776 0.34776 0 ] [ 0.15224 0.34776 0.5 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0 ] ] } "species" { "source-value" [ "Tl" "Tl" "Tl" "Tl" "Tl" "Tl" "Tl" "Tl" "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" 7.81921788 "source-unit" "angstrom" } "c" { "source-value" 5.49838882 "source-unit" "angstrom" } }