{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-3m1" } "basis-atom-coordinates" { "source-value" [ [ 0.333333 0.666667 0.813737 ] [ 0.666667 0.333333 0.186263 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.333333 0.666667 0.31271 ] [ 0.666667 0.333333 0.68729 ] [ 0.819983 0.180017 0.760722 ] [ 0.819983 0.639965 0.760722 ] [ 0.360035 0.180017 0.760722 ] [ 0.639965 0.819983 0.239278 ] [ 0.180017 0.360035 0.239278 ] [ 0.180017 0.819983 0.239278 ] [ 0.666667 0.333333 0.472035 ] [ 0.333333 0.666667 0.527965 ] ] } "species" { "source-value" [ "Tl" "Tl" "Tl" "Tl" "W" "W" "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" 6.44006319362 "source-unit" "angstrom" } "c" { "source-value" 8.4638175 "source-unit" "angstrom" } }