{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-42_1m" } "basis-atom-coordinates" { "source-value" [ [ 0.659859 0.840141 0.504025 ] [ 0.159859 0.659859 0.495975 ] [ 0.840141 0.340141 0.495975 ] [ 0.340141 0.159859 0.504025 ] [ 0.367223 0.867223 0.039539 ] [ 0.867223 0.632777 0.960461 ] [ 0.632777 0.132777 0.039539 ] [ 0.132777 0.367223 0.960461 ] [ 0.5 0.5 0 ] [ 0 0 0 ] [ 0.922515 0.826249 0.797356 ] [ 0.173751 0.922515 0.202644 ] [ 0.577485 0.326249 0.202644 ] [ 0.422515 0.673751 0.202644 ] [ 0.326249 0.422515 0.797356 ] [ 0.673751 0.577485 0.797356 ] [ 0 0.5 0.829722 ] [ 0.5 0 0.170278 ] [ 0.141401 0.358599 0.280538 ] [ 0.641401 0.141401 0.719462 ] [ 0.358599 0.858599 0.719462 ] [ 0.858599 0.641401 0.280538 ] [ 0.077485 0.173751 0.797356 ] [ 0.826249 0.077485 0.202644 ] ] } "species" { "source-value" [ "Pr" "Pr" "Pr" "Pr" "Be" "Be" "Be" "Be" "Ge" "Ge" "O" "O" "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" 7.67364581 "source-unit" "angstrom" } "c" { "source-value" 4.95652459 "source-unit" "angstrom" } }