{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6mm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.933537 ] [ 0 0.5 0.498701 ] [ 0.5 0.5 0.498701 ] [ 0.5 0 0.498701 ] [ 0 0.5 0.999131 ] [ 0.210165 0.789835 0.499861 ] [ 0.210165 0.420329 0.499861 ] [ 0.579671 0.789835 0.499861 ] [ 0.5 0.5 0.999131 ] [ 0.420329 0.210165 0.499861 ] [ 0.5 0 0.999131 ] [ 0.789835 0.579671 0.499861 ] [ 0.789835 0.210165 0.499861 ] ] } "species" { "source-value" [ "Tl" "W" "W" "W" "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" 7.52830722 "source-unit" "angstrom" } "c" { "source-value" 3.87397579 "source-unit" "angstrom" } }