{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4_1/amd" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.5 ] [ 0 0.5 0.75 ] [ 0.5 0.5 0 ] [ 0.5 0 0.25 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0.75 ] [ 0 0 0 ] [ 0 0.5 0.25 ] [ 0.5 0.5 0.743437 ] [ 0 0 0.756563 ] [ 0 0.5 0.493437 ] [ 0.5 0 0.506563 ] [ 0 0 0.243437 ] [ 0.5 0.5 0.256563 ] [ 0.5 0 0.993437 ] [ 0 0.5 0.006563 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Tl" "Tl" "Tl" "Tl" "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" 4.63586803 "source-unit" "angstrom" } "c" { "source-value" 9.30467318 "source-unit" "angstrom" } }