{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_12_12" } "basis-atom-coordinates" { "source-value" [ [ 0.724685 0.724685 0 ] [ 0.775315 0.224685 0.25 ] [ 0.224685 0.775315 0.75 ] [ 0.275315 0.275315 0.5 ] [ 0.71248 0.71248 0.5 ] [ 0.21248 0.78752 0.25 ] [ 0.78752 0.21248 0.75 ] [ 0.28752 0.28752 0 ] [ 0.91394 0.756103 0.326721 ] [ 0.08606 0.243897 0.826721 ] [ 0.756103 0.91394 0.673279 ] [ 0.256103 0.58606 0.076721 ] [ 0.743897 0.41394 0.576721 ] [ 0.243897 0.08606 0.173279 ] [ 0.41394 0.743897 0.423279 ] [ 0.58606 0.256103 0.923279 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Al" "Al" "Al" "Al" "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" 5.58268085 "source-unit" "angstrom" } "c" { "source-value" 7.77767012 "source-unit" "angstrom" } }