{ "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 0 0 ] [ 0.5 0.5 0.5 ] [ 0.781953 0 0.5 ] [ 0 0.218047 0.5 ] [ 0 0.347617 0 ] [ 0.652383 0 0 ] [ 0 0.652383 0 ] [ 0.347617 0 0 ] [ 0 0.781953 0.5 ] [ 0.218047 0 0.5 ] [ 0.281953 0.5 0 ] [ 0.5 0.718047 0 ] [ 0.5 0.847617 0.5 ] [ 0.152383 0.5 0.5 ] [ 0.5 0.152383 0.5 ] [ 0.847617 0.5 0.5 ] [ 0.5 0.281953 0 ] [ 0.718047 0.5 0 ] [ 0.25 0.25 0.25 ] [ 0.25 0.25 0.75 ] [ 0.25 0.75 0.75 ] [ 0.25 0.75 0.25 ] [ 0.75 0.75 0.75 ] [ 0.75 0.75 0.25 ] [ 0.75 0.25 0.25 ] [ 0.75 0.25 0.75 ] ] } "species" { "source-value" [ "Tm" "Tm" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.78747068 "source-unit" "angstrom" } "c" { "source-value" 5.119843 "source-unit" "angstrom" } }