{ "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 0 0 ] [ 0.666667 0.333333 0.92113 ] [ 0 0 0.5 ] [ 0.333333 0.666667 0.07887 ] [ 0.333333 0.666667 0.715826 ] [ 0.666667 0.333333 0.284174 ] [ 0.666667 0.333333 0.436951 ] [ 0.333333 0.666667 0.563049 ] [ 0.865903 0.731805 0.760716 ] [ 0.268195 0.134097 0.760716 ] [ 0.134097 0.865903 0.239284 ] [ 0.134097 0.268195 0.239284 ] [ 0.731805 0.865903 0.239284 ] [ 0.865903 0.134097 0.760716 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "S" "S" "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" 5.44268428329 "source-unit" "angstrom" } "c" { "source-value" 9.56330543 "source-unit" "angstrom" } }