{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4/mmm" } "basis-atom-coordinates" { "source-value" [ [ 0.67822 0 0.5 ] [ 0.32178 0 0.5 ] [ 0 0.32178 0.5 ] [ 0 0.67822 0.5 ] [ 0.17822 0.5 0 ] [ 0.82178 0.5 0 ] [ 0.5 0.82178 0 ] [ 0.5 0.17822 0 ] [ 0.147656 0.147656 0 ] [ 0.852344 0.147656 0 ] [ 0.852344 0.852344 0 ] [ 0.147656 0.852344 0 ] [ 0.647656 0.647656 0.5 ] [ 0.352344 0.647656 0.5 ] [ 0.352344 0.352344 0.5 ] [ 0.647656 0.352344 0.5 ] [ 0 0.294225 0 ] [ 0.705775 0 0 ] [ 0.294225 0 0 ] [ 0 0.705775 0 ] [ 0.5 0.794225 0.5 ] [ 0.205775 0.5 0.5 ] [ 0.794225 0.5 0.5 ] [ 0.5 0.205775 0.5 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "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" 10.0324714558 "source-unit" "angstrom" } "c" { "source-value" 5.54965368326 "source-unit" "angstrom" } }