{ "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" [ [ 0.666667 0.333333 0.688932 ] [ 0.333333 0.666667 0.311068 ] [ 0.830353 0.169647 0.220027 ] [ 0.830353 0.660706 0.220027 ] [ 0.339294 0.169647 0.220027 ] [ 0.660706 0.830353 0.779973 ] [ 0.169647 0.830353 0.779973 ] [ 0.169647 0.339294 0.779973 ] [ 0 0 0 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0.5 0.5 0 ] ] } "species" { "source-value" [ "Tl" "Tl" "Te" "Te" "Te" "Te" "Te" "Te" "Pt" "Pt" "Pt" "Pt" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.0686273 "source-unit" "angstrom" } "c" { "source-value" 6.0606535 "source-unit" "angstrom" } }